data_2ebq_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 2ebq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.746 0.308 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -115.98 138.26 51.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.09 118.93 25.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -58.8 172.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -115.87 -37.68 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.8 m -74.9 -65.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.9 p -88.76 -21.59 23.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.9 mt 64.39 44.88 4.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.3 p -102.6 155.42 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -86.31 114.24 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -118.68 151.84 37.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -69.89 152.53 95.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.33 15.96 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -88.72 -39.09 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 118.42 9.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 HG12 ' N ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -64.52 -31.8 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.418 ' N ' HG12 ' A' ' 26' ' ' ILE . 16.5 pttm -126.57 172.98 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -74.88 171.66 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 30' ' ' ALA . 8.3 p -111.16 -35.88 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.438 ' N ' HG11 ' A' ' 29' ' ' VAL . . . -76.91 -63.05 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -87.26 -19.86 27.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 63.79 40.63 7.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.3 t -93.62 140.8 23.21 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.567 0.699 . . . . 0.0 111.184 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 126.08 12.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.0 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.777 0.323 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.415 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 28.0 p-90 -110.53 118.68 36.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.75 148.65 50.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.65 170.4 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.39 -37.08 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -75.59 -64.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 p -87.86 -25.27 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt 65.27 47.99 2.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.0 t -119.18 131.47 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.83 146.74 40.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -144.49 166.32 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -75.83 145.2 77.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 0.11 6.17 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.7 2.266 . . . . 0.0 112.313 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -97.2 -38.48 9.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.5 123.1 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.434 HG12 ' N ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -66.93 -32.29 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' N ' HG12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -124.87 160.64 28.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -58.64 169.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.25 -28.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.67 -56.79 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -93.41 -19.33 21.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 64.66 44.81 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.443 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 85.8 m -95.31 137.6 22.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.74 125.1 11.76 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 60.9 tttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.576 0.703 . . . . 0.0 110.954 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.49 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 47.5 p-90 -124.98 117.42 23.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.08 145.28 55.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.62 169.67 11.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -117.42 -36.95 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.3 m -72.88 -64.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.2 p -92.54 -23.78 18.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.5 mt 67.77 45.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.9 t -114.92 131.23 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.37 144.74 45.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -144.83 166.34 25.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -76.52 150.23 82.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -34.29 14.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.34 -40.52 96.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.84 143.06 58.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -93.45 -23.77 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -120.55 178.06 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -86.17 172.22 10.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.485 HG11 ' N ' ' A' ' 30' ' ' ALA . 14.6 p -105.06 -27.63 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.485 ' N ' HG11 ' A' ' 29' ' ' VAL . . . -91.24 -59.67 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.47 -13.5 34.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' CD ' ' HD3' ' A' ' 27' ' ' LYS . 7.4 mm-40 55.44 45.61 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 97.4 m -96.91 138.72 21.32 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.602 0.715 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 54.3 Cg_endo -69.69 122.4 9.1 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 19.3 tttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.748 0.308 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 8.7 p-90 -107.16 127.32 53.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -71.23 123.86 23.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.32 166.75 7.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -112.54 -32.77 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.5 m -74.82 -64.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.6 p -96.23 -20.39 18.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mt 68.0 39.24 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG11 ' ND2' ' A' ' 21' ' ' ASN . 4.1 p -96.79 151.86 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.33 109.34 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.519 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -102.17 149.43 24.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.06 147.57 58.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -8.92 24.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.601 2.2 . . . . 0.0 112.376 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 6.3 pt-20 -93.71 -34.1 13.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -70.3 141.91 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 27' ' ' LYS . 12.8 pt -85.09 -33.01 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -124.8 175.36 7.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -77.62 168.74 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.45 HG11 ' N ' ' A' ' 30' ' ' ALA . 12.1 p -110.2 -27.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' N ' HG11 ' A' ' 29' ' ' VAL . . . -83.38 -58.2 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.0 p -94.64 -19.97 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 64.47 44.0 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -94.74 141.03 22.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.633 0.73 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 128.73 16.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 tttm . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.1 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.745 0.307 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.51 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 14.8 p-90 -124.53 132.05 53.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.04 129.62 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.7 t -75.89 167.31 22.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -115.87 -32.52 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -74.95 -61.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 p -100.01 -19.83 16.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 mt 66.65 43.32 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 4.9 p -102.76 147.11 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.94 106.55 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 10.0 m-80 -112.04 158.51 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -78.87 154.03 77.93 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.55 0.691 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -26.02 28.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.44 -37.81 74.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.85 114.29 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.427 HG12 ' N ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -56.76 -32.34 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 26' ' ' ILE . 7.7 ptmt -131.97 174.45 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.409 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 7.5 t -70.4 169.55 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 30' ' ' ALA . 15.0 p -104.09 -30.45 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.407 ' N ' HG12 ' A' ' 29' ' ' VAL . . . -84.83 -67.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -84.46 -17.86 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 61.88 41.49 11.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -83.68 140.98 41.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.154 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.7 13.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.51 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 51.0 tttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.431 ' HG1' ' NE2' ' A' ' 20' ' ' GLN . 42.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.509 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 8.7 p-90 -100.6 140.58 34.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.97 145.55 28.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 t -89.67 165.17 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -112.85 -36.74 5.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -73.49 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.3 p -91.83 -23.66 19.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mt 64.59 46.33 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.4 t -117.3 131.63 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.431 ' NE2' ' HG1' ' A' ' 11' ' ' THR . 36.4 tt0 -59.65 145.45 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -142.7 172.89 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -81.14 143.73 53.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.538 0.685 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -8.0 22.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.656 2.238 . . . . 0.0 112.383 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 11.1 pt-20 -88.25 -40.9 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 27' ' ' LYS . 24.3 pt -81.21 -33.85 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -121.07 177.32 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 t -79.64 169.18 18.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 30' ' ' ALA . 9.7 p -106.1 -32.69 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.455 ' N ' HG11 ' A' ' 29' ' ' VAL . . . -81.59 -64.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 p -83.59 -21.49 32.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 64.14 43.7 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.458 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 68.0 m -96.45 139.08 21.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.549 0.69 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 54.0 Cg_endo -69.76 116.8 4.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.254 . . . . 0.0 112.389 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 73.1 tttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.9 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 35' ' ' LYS . 14.7 p-90 -115.92 131.06 57.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -76.31 140.24 41.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.49 165.17 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -110.13 -37.64 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.1 m -72.66 -65.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.7 p -89.29 -21.9 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mt 63.43 48.02 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -118.31 136.37 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.39 142.81 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -142.54 177.73 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -78.21 146.88 71.79 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.698 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.16 20.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.623 2.215 . . . . 0.0 112.311 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -68.09 -41.89 81.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.59 142.03 40.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 27' ' ' LYS . 28.8 pt -88.54 -34.63 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' N ' HG13 ' A' ' 26' ' ' ILE . 6.6 ptpp? -120.2 176.97 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.44 169.78 16.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -108.24 -33.13 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.68 -64.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -81.33 -18.0 47.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.38 42.01 9.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 34' ' ' PRO . 51.6 m -104.3 139.14 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.718 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.464 ' N ' HG22 ' A' ' 33' ' ' THR . 53.1 Cg_endo -69.86 118.29 5.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.286 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 50.6 tttm . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.513 0.673 . . . . 0.0 110.953 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -111.91 126.16 54.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -76.94 125.15 28.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.31 165.86 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -106.15 -37.95 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.9 m -74.86 -68.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.8 p -85.26 -20.33 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt 61.48 45.99 7.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' SG ' ' A' ' 28' ' ' CYS . 4.2 p -105.72 148.86 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -75.58 140.74 42.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -151.55 149.26 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -65.46 146.69 98.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 2.89 3.14 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -95.6 -41.02 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.93 139.12 41.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 27' ' ' LYS . 30.9 pt -78.43 -33.8 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.0 pttm -131.36 177.07 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.8 t -76.59 168.52 19.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 30' ' ' ALA . 10.1 p -109.22 -27.49 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 29' ' ' VAL . . . -83.04 -64.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -87.91 -17.97 30.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 63.06 45.25 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -95.95 140.64 22.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.712 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 129.02 16.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.1 tttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.521 0.677 . . . . 0.0 110.913 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.749 0.309 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.502 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 19.9 p-90 -109.19 126.98 53.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.31 129.05 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 t -67.35 169.42 8.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -112.54 -32.72 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -77.07 -61.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.27 -20.86 20.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt 65.83 46.16 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -102.63 156.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -95.42 107.95 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -109.98 167.32 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 22' ' ' LYS . 11.3 mptt -77.01 150.54 81.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -10.07 27.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -83.98 -41.6 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.85 143.46 57.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 27' ' ' LYS . 19.9 pt -91.11 -32.84 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' N ' HG13 ' A' ' 26' ' ' ILE . 8.3 ptpt -115.26 177.97 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.86 168.78 13.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -110.09 -28.46 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.19 -63.4 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.03 -13.55 44.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 60.71 38.41 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 75.6 m -98.56 137.93 20.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.582 0.706 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 53.8 Cg_endo -69.78 137.35 35.19 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.502 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 43.3 tttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.562 0.696 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.793 0.33 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 16.1 p-90 -117.13 130.6 56.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.99 124.67 28.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.7 t -64.66 166.5 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.4 -32.81 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.9 m -74.01 -63.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.1 p -95.64 -22.69 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 mt 68.0 41.94 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.474 HG12 ' ND2' ' A' ' 21' ' ' ASN . 3.9 p -98.89 148.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -67.71 105.3 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.518 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 1.3 m120 -95.25 162.79 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -98.73 150.89 37.13 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.556 0.693 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.97 37.27 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.15 -34.49 17.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.63 140.88 56.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 27' ' ' LYS . 22.3 pt -85.97 -33.0 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.7 ptpt -127.71 177.36 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.7 173.27 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -117.46 -30.29 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.04 -55.21 5.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.02 -14.88 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 62.76 39.03 11.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -95.78 140.8 22.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.57 0.7 . . . . 0.0 111.125 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.59 30.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.29 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.495 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 16.9 tttt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.747 0.308 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 35' ' ' LYS . 36.1 p-90 -111.4 123.07 49.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.04 140.35 52.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.54 162.21 22.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -109.62 -36.42 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -72.32 -63.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.1 p -92.21 -21.92 20.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt 63.86 48.03 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.451 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 95.7 t -117.68 142.09 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -67.36 138.86 57.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 43.7 m-80 -137.19 154.58 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -60.55 146.35 85.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.43 34.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.23 . . . . 0.0 112.347 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.47 -35.2 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.2 138.58 44.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 27' ' ' LYS . 41.8 pt -86.07 -36.42 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' N ' HG13 ' A' ' 26' ' ' ILE . 20.1 pttp -121.7 176.69 5.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.31 171.34 12.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -107.72 -33.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.41 -61.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -87.5 -17.16 32.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 63.38 42.48 6.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 34' ' ' PRO . 52.8 m -97.53 133.37 23.74 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.573 0.701 . . . . 0.0 111.125 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.405 ' N ' HG22 ' A' ' 33' ' ' THR . 54.0 Cg_endo -69.71 114.06 3.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.379 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 12' ' ' TRP . 36.6 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.1 p . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.751 0.31 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.441 ' CE3' ' OD1' ' A' ' 21' ' ' ASN . 18.1 p-90 -117.51 126.11 52.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.22 129.11 37.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.8 t -62.7 167.38 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -108.69 -32.6 7.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.7 m -77.47 -66.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.442 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 24.6 p -91.37 -21.85 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt 67.81 39.83 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.481 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 9.1 p -99.12 145.03 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -63.08 116.88 5.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -103.68 165.86 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -87.92 149.87 46.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.515 0.674 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.39 32.19 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -98.58 16.95 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.63 141.44 43.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 27' ' ' LYS . 1.9 pp -90.69 -28.74 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 26' ' ' ILE . 10.6 ptpt -128.66 174.86 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.442 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.3 t -76.86 170.11 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 30' ' ' ALA . 7.1 p -109.6 -27.8 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 29' ' ' VAL . . . -84.43 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -86.84 -16.91 34.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 63.65 39.96 8.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 t -92.41 140.7 24.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 138.57 38.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.6 tttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.526 0.679 . . . . 0.0 110.91 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.787 0.327 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -141.49 115.43 9.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.48 155.47 39.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -89.92 167.2 13.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.09 -37.86 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.1 m -76.86 -67.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.2 p -83.43 -20.15 34.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt 59.75 44.77 13.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.07 131.18 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -60.64 138.75 58.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -138.8 156.56 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -63.38 149.84 90.85 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -25.41 28.52 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.317 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -71.61 -42.39 67.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.54 130.89 49.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 27' ' ' LYS . 42.6 pt -79.44 -36.62 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -117.21 177.93 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.93 170.49 16.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.9 p -111.82 -32.01 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.87 -64.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.22 -17.97 38.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 62.62 46.85 5.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.456 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 94.8 m -105.39 138.8 19.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.699 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.456 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.76 129.89 18.39 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 tttm . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.7 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.518 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 19.2 p-90 -109.5 122.31 47.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -70.54 141.06 51.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.4 t -89.68 163.11 15.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -114.97 -31.88 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -66.93 -61.25 2.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.1 p -99.58 -14.57 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 mt 64.1 38.47 8.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 87.2 t -113.34 138.44 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -56.35 147.65 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 1.1 m120 -135.48 152.49 51.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -74.3 149.16 86.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.54 29.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -79.62 -34.36 40.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.13 140.92 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 27' ' ' LYS . 24.6 pt -87.84 -33.03 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -129.8 155.24 46.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 1.8 t -53.09 170.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -108.55 -36.37 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.01 -64.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.45 -21.18 35.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 63.55 47.93 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -97.75 140.02 21.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.56 4.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.518 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 34.9 tttm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.766 0.317 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.513 ' CZ3' ' HG3' ' A' ' 35' ' ' LYS . 25.4 p-90 -124.38 117.26 24.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -67.71 152.03 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.4 t -97.8 163.79 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -111.27 -30.87 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -70.86 -62.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.7 p -99.67 -18.84 17.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt 67.44 36.92 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.475 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 94.3 t -105.57 135.44 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -59.42 126.1 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.488 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -113.81 175.52 5.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -96.58 145.38 29.47 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -3.45 12.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -97.03 -35.59 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.21 139.71 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 27' ' ' LYS . 13.1 pt -81.41 -30.88 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 26' ' ' ILE . 10.6 ptpp? -126.48 177.94 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.04 166.46 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 30' ' ' ALA . 11.9 p -107.52 -28.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 29' ' ' VAL . . . -82.86 -63.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.75 -18.88 31.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 64.27 44.64 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 94.9 m -100.54 138.62 20.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.589 0.709 . . . . 0.0 111.189 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 53.6 Cg_endo -69.75 127.08 14.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HG3' ' CZ3' ' A' ' 12' ' ' TRP . 24.9 tttm . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.522 0.677 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.796 0.331 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.406 ' CD1' ' NZ ' ' A' ' 35' ' ' LYS . 8.3 p-90 -115.47 128.23 55.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.38 137.33 38.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.06 170.45 16.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -116.1 -37.35 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.3 m -76.33 -64.56 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.3 p -86.53 -22.19 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 mt 61.85 47.37 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 80.7 t -117.62 136.46 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -66.19 143.02 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -139.75 171.28 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -77.71 145.99 71.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.06 35.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.385 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -84.8 -39.49 18.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.56 131.6 50.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 27' ' ' LYS . 41.9 pt -76.62 -33.94 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.7 ptpt -121.04 176.7 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 t -78.71 169.95 17.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 p -107.41 -34.31 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.13 -64.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 p -86.16 -17.71 34.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 61.25 45.06 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.481 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 92.1 m -95.81 138.67 21.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.621 0.724 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.77 130.44 19.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' NZ ' ' CD1' ' A' ' 12' ' ' TRP . 50.7 tttt . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.443 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 40.7 p-90 -124.69 129.99 51.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -79.42 160.03 26.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.96 166.03 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -111.94 -36.71 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.6 m -73.99 -64.55 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.2 p -86.65 -22.6 26.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.2 mt 64.98 46.6 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 20' ' ' GLN . 90.6 t -123.36 135.93 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 19' ' ' VAL . 5.1 tp60 -64.97 153.05 41.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -150.71 176.4 11.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -83.97 144.68 45.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -18.75 36.55 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.25 . . . . 0.0 112.314 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -76.07 -36.84 58.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.9 120.36 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -2.47 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -152.94 174.11 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -71.45 171.19 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 30' ' ' ALA . 10.0 p -107.1 -31.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 29' ' ' VAL . . . -85.66 -67.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -78.14 -22.3 49.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 63.89 39.36 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -87.0 140.56 32.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.9 9.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 17.5 tttp . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.796 0.332 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 23.5 p-90 -109.67 126.17 53.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.61 133.44 47.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -72.43 167.89 19.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.48 -33.96 5.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.7 m -74.32 -62.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.434 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 26.6 p -98.39 -17.46 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 mt 65.96 36.64 5.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.503 ' CG1' ' SG ' ' A' ' 28' ' ' CYS . 7.6 p -94.05 155.28 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -72.22 112.11 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.522 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -103.85 151.94 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -84.48 148.19 51.63 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.607 0.718 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -3.39 11.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -98.71 -36.32 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 133.54 45.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.464 HD13 ' CG ' ' A' ' 27' ' ' LYS . 2.3 pp -76.76 -34.51 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' CG ' HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -124.22 156.53 36.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 15.8 t -54.77 166.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.86 -21.02 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.35 -55.24 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.5 p -98.62 -15.89 19.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 63.66 36.64 10.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 t -87.05 140.59 32.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 131.51 21.41 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.375 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.2 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.756 0.312 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.514 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 11.0 p-90 -118.15 127.09 53.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -76.05 117.27 17.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.08 166.69 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -113.79 -34.61 5.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.1 m -73.05 -59.76 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.411 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 23.6 p -97.67 -20.94 17.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt 67.87 42.51 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 7.2 p -103.03 146.81 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -86.88 113.34 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -116.85 163.95 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 22' ' ' LYS . 8.8 mptt -73.98 149.31 87.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.89 17.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -83.69 -43.8 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.63 137.05 58.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 26' ' ' ILE . 2.2 pp -80.48 -30.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.21 175.02 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -80.54 169.68 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.17 -32.83 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.93 -62.73 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' SG ' ' CG2' ' A' ' 33' ' ' THR . 29.8 p -94.37 1.94 55.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 9.0 pt-20 45.87 31.98 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.462 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 10.5 t -79.93 140.79 54.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.84 15.15 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 36.6 tttp . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.44 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 6.5 p-90 -112.79 135.72 53.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -83.96 129.8 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.03 169.06 16.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -113.54 -37.65 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.0 m -76.4 -65.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.8 p -83.72 -23.76 31.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt 62.18 48.01 5.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 97.2 t -119.71 136.19 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.449 ' N ' HG11 ' A' ' 19' ' ' VAL . 34.2 tt0 -60.93 144.38 53.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 28.0 m-80 -142.77 148.66 37.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' HE3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -62.01 153.54 73.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 110.9 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -33.52 16.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.18 -40.02 86.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.04 118.51 7.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.069 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.77 -24.4 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -125.69 174.48 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.8 t -74.42 173.15 10.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.96 -29.3 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.51 -56.51 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -92.3 -18.14 23.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 61.66 46.0 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -97.31 140.69 22.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.646 0.736 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 123.18 9.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 29.4 tttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -110.48 161.04 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 66.15 44.97 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.9 110.58 1.96 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 p -101.25 152.54 20.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 7' ' ' GLY . 23.7 p -86.5 133.09 33.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.06 109.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -82.71 17.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.343 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.43 ' C ' HD11 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -93.19 176.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.15 -76.07 0.98 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 p -57.19 148.44 22.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.746 0.308 . . . . 0.0 111.188 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -115.98 138.26 51.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.09 118.93 25.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -58.8 172.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -115.87 -37.68 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.8 m -74.9 -65.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.9 p -88.76 -21.59 23.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.9 mt 64.39 44.88 4.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.3 p -102.6 155.42 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -86.31 114.24 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -118.68 151.84 37.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -69.89 152.53 95.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.33 15.96 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -88.72 -39.09 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 118.42 9.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 HG12 ' N ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -64.52 -31.8 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' N ' HG12 ' A' ' 26' ' ' ILE . 16.5 pttm -126.57 172.98 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -74.88 171.66 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 30' ' ' ALA . 8.3 p -111.16 -35.88 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.438 ' N ' HG11 ' A' ' 29' ' ' VAL . . . -76.91 -63.05 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -87.26 -19.86 27.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 63.79 40.63 7.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.3 t -93.62 140.8 23.21 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.567 0.699 . . . . 0.0 111.184 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 126.08 12.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 34.0 tttm -54.66 139.82 59.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.3 Cg_endo -69.85 177.77 5.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.99 89.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.9 t -63.0 -43.89 97.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.776 0.322 . . . . 0.0 111.132 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.2 p -86.33 148.32 25.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.0 m -95.96 120.9 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' ALA . 8.9 ptmm? -52.24 -44.04 64.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 41' ' ' LYS . 87.9 mtt-85 -33.97 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' LYS . . . -37.66 -52.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 45' ' ' THR . 4.3 pp -60.64 170.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.438 ' N ' HD13 ' A' ' 44' ' ' LEU . 47.3 m -87.71 130.04 34.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.29 165.31 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -101.11 139.07 37.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -96.88 158.6 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.02 88.41 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -74.85 137.29 41.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -78.61 -56.54 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.6 166.8 23.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.7 t -80.7 14.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.4 mt -71.25 126.6 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.48 -81.36 1.47 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p -53.69 133.02 41.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.777 0.323 . . . . 0.0 111.086 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.415 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 28.0 p-90 -110.53 118.68 36.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.75 148.65 50.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.65 170.4 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.39 -37.08 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -75.59 -64.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 p -87.86 -25.27 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt 65.27 47.99 2.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.0 t -119.18 131.47 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.83 146.74 40.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -144.49 166.32 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -75.83 145.2 77.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 0.11 6.17 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.7 2.266 . . . . 0.0 112.313 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -97.2 -38.48 9.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.5 123.1 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.434 HG12 ' N ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -66.93 -32.29 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' N ' HG12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -124.87 160.64 28.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -58.64 169.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.25 -28.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.67 -56.79 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -93.41 -19.33 21.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 64.66 44.81 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.443 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 85.8 m -95.31 137.6 22.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.74 125.1 11.76 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 60.9 tttt -53.76 140.04 50.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.576 0.703 . . . . 0.0 110.954 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.75 -30.89 21.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.724 2.283 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.69 -103.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 p -96.66 155.68 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.5 t -154.46 114.9 3.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.33 144.89 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -66.03 -58.74 4.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -103.3 146.86 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.3 176.53 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.4 tp -64.67 136.11 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.5 m -71.42 128.62 36.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.8 tt -129.51 113.38 14.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -95.86 145.75 25.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.376 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -124.61 138.51 54.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.817 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.44 78.99 1.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -39.45 -52.16 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 m 56.4 43.3 26.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.44 -69.95 0.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.6 m -84.66 141.6 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 10' ' ' GLY . 50.5 mm -76.0 139.74 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -103.5 -128.52 6.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -54.62 153.17 6.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.49 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 47.5 p-90 -124.98 117.42 23.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.08 145.28 55.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.62 169.67 11.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -117.42 -36.95 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.3 m -72.88 -64.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.2 p -92.54 -23.78 18.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.5 mt 67.77 45.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.9 t -114.92 131.23 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.37 144.74 45.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -144.83 166.34 25.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -76.52 150.23 82.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -34.29 14.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.34 -40.52 96.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.84 143.06 58.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pp -93.45 -23.77 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -120.55 178.06 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -86.17 172.22 10.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.485 HG11 ' N ' ' A' ' 30' ' ' ALA . 14.6 p -105.06 -27.63 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.485 ' N ' HG11 ' A' ' 29' ' ' VAL . . . -91.24 -59.67 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.47 -13.5 34.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' CD ' ' HD3' ' A' ' 27' ' ' LYS . 7.4 mm-40 55.44 45.61 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 97.4 m -96.91 138.72 21.32 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.602 0.715 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 54.3 Cg_endo -69.69 122.4 9.1 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 19.3 tttt -53.5 138.63 50.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.73 84.15 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.19 41.22 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.432 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.0 m -45.59 -44.28 12.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 t -103.49 130.35 50.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 p -81.7 123.67 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -91.02 -56.28 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -99.5 150.42 22.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.37 119.07 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' HD23 ' A' ' 44' ' ' LEU . 4.3 mm? -104.92 128.0 52.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 m -112.81 138.57 49.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 47' ' ' THR . 1.5 pt? -58.71 -42.02 87.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.447 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 40.7 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -145.92 131.87 19.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -62.92 -56.74 14.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.82 86.7 1.89 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -78.82 -48.29 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -51.13 -47.12 62.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.83 55.61 2.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 m -104.99 132.4 51.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.9 mt -84.66 120.95 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.59 -99.45 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.3 p -66.61 142.42 57.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.308 . . . . 0.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 8.7 p-90 -107.16 127.32 53.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -71.23 123.86 23.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.32 166.75 7.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -112.54 -32.77 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.5 m -74.82 -64.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.6 p -96.23 -20.39 18.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mt 68.0 39.24 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG11 ' ND2' ' A' ' 21' ' ' ASN . 4.1 p -96.79 151.86 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.33 109.34 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.519 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -102.17 149.43 24.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.06 147.57 58.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -8.92 24.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.601 2.2 . . . . 0.0 112.376 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 6.3 pt-20 -93.71 -34.1 13.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -70.3 141.91 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 27' ' ' LYS . 12.8 pt -85.09 -33.01 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -124.8 175.36 7.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -77.62 168.74 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.45 HG11 ' N ' ' A' ' 30' ' ' ALA . 12.1 p -110.2 -27.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' N ' HG11 ' A' ' 29' ' ' VAL . . . -83.38 -58.2 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.0 p -94.64 -19.97 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 64.47 44.0 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -94.74 141.03 22.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.633 0.73 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 128.73 16.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 48.9 tttm -63.25 139.34 97.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 54.0 Cg_endo -69.75 127.47 14.65 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.76 -49.36 0.81 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 t -80.96 14.05 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.321 . . . . 0.0 111.124 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 56.9 m -129.82 111.97 13.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 41' ' ' LYS . 12.7 p -107.75 -27.8 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 40' ' ' VAL . 16.9 ttmm -45.46 -56.97 4.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -69.62 148.11 49.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.26 152.51 26.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -69.61 128.36 36.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -137.29 119.85 16.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 46' ' ' LEU . 4.5 mm? -83.45 143.03 30.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 p -50.23 -47.28 55.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -67.91 130.4 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.15 130.92 8.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.0 m -133.72 148.77 51.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -66.96 115.5 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.84 -71.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.36 143.19 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.4 mt -118.77 116.01 49.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.82 -97.05 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.1 p -52.54 155.17 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 111.171 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.51 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 14.8 p-90 -124.53 132.05 53.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.04 129.62 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.7 t -75.89 167.31 22.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -115.87 -32.52 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -74.95 -61.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.9 p -100.01 -19.83 16.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 mt 66.65 43.32 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 4.9 p -102.76 147.11 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.94 106.55 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 10.0 m-80 -112.04 158.51 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -78.87 154.03 77.93 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.55 0.691 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -26.02 28.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.44 -37.81 74.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.85 114.29 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.427 HG12 ' N ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -56.76 -32.34 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 26' ' ' ILE . 7.7 ptmt -131.97 174.45 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 7.5 t -70.4 169.55 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 30' ' ' ALA . 15.0 p -104.09 -30.45 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' N ' HG12 ' A' ' 29' ' ' VAL . . . -84.83 -67.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -84.46 -17.86 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 61.88 41.49 11.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -83.68 140.98 41.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.154 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.7 13.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.51 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 51.0 tttt -63.79 136.83 96.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -13.62 34.79 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.24 46.23 4.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.3 m -74.26 -48.01 31.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.771 0.32 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 t -72.06 -63.43 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.75 133.78 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -61.51 -57.24 12.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -117.74 103.86 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . -33.83 -51.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' H ' ' CZ ' ' A' ' 42' ' ' ARG . 10.5 tp 65.02 44.65 3.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.8 p -70.43 166.64 19.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.1 mt -75.93 -58.01 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.975 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -92.68 128.94 38.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -116.09 172.15 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.74 -146.85 41.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -79.04 106.83 11.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -143.38 153.65 42.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.34 -127.68 8.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -136.75 112.7 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.339 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' GLY . 5.3 mp -50.48 -41.57 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -33.63 -42.82 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.431 ' HG1' ' NE2' ' A' ' 20' ' ' GLN . 42.6 p -52.11 130.07 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.509 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 8.7 p-90 -100.6 140.58 34.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.97 145.55 28.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 t -89.67 165.17 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -112.85 -36.74 5.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -73.49 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.3 p -91.83 -23.66 19.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mt 64.59 46.33 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.4 t -117.3 131.63 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.431 ' NE2' ' HG1' ' A' ' 11' ' ' THR . 36.4 tt0 -59.65 145.45 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -142.7 172.89 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -81.14 143.73 53.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.538 0.685 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -8.0 22.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.656 2.238 . . . . 0.0 112.383 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 11.1 pt-20 -88.25 -40.9 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 27' ' ' LYS . 24.3 pt -81.21 -33.85 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -121.07 177.32 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 t -79.64 169.18 18.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 30' ' ' ALA . 9.7 p -106.1 -32.69 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' N ' HG11 ' A' ' 29' ' ' VAL . . . -81.59 -64.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 p -83.59 -21.49 32.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 64.14 43.7 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.458 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 68.0 m -96.45 139.08 21.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.549 0.69 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 54.0 Cg_endo -69.76 116.8 4.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.254 . . . . 0.0 112.389 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 73.1 tttt -54.44 139.4 58.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.5 Cg_endo -69.81 -12.02 31.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.16 131.04 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.428 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.4 p -95.1 -48.45 5.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.768 0.318 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.6 m 57.6 42.19 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.3 m -53.0 -42.13 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 42' ' ' ARG . 1.1 ttmp? -47.8 -41.91 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 41' ' ' LYS . 10.2 tpp180 -36.82 -51.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 138.67 49.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp -102.28 174.73 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' LEU . 60.4 p -126.38 146.05 50.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' THR . 17.6 tp -36.79 -62.14 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -136.47 169.95 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -53.67 117.03 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.06 -66.22 0.82 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -80.35 149.56 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 t -140.69 128.22 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.88 54.09 0.78 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 p -101.01 12.39 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.4 mm -99.75 119.5 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.9 -66.87 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.9 p -57.77 146.83 29.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 35' ' ' LYS . 14.7 p-90 -115.92 131.06 57.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -76.31 140.24 41.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.49 165.17 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -110.13 -37.64 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.1 m -72.66 -65.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.7 p -89.29 -21.9 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mt 63.43 48.02 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -118.31 136.37 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.39 142.81 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -142.54 177.73 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -78.21 146.88 71.79 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.698 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.16 20.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.623 2.215 . . . . 0.0 112.311 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -68.09 -41.89 81.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.59 142.03 40.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 27' ' ' LYS . 28.8 pt -88.54 -34.63 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' N ' HG13 ' A' ' 26' ' ' ILE . 6.6 ptpp? -120.2 176.97 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.44 169.78 16.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -108.24 -33.13 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.68 -64.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -81.33 -18.0 47.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.38 42.01 9.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 34' ' ' PRO . 51.6 m -104.3 139.14 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.718 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.464 ' N ' HG22 ' A' ' 33' ' ' THR . 53.1 Cg_endo -69.86 118.29 5.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.286 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 50.6 tttm -56.38 139.71 73.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.513 0.673 . . . . 0.0 110.953 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.8 Cg_endo -69.74 121.58 8.28 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.33 -122.82 4.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m 62.57 40.25 10.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 111.173 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.2 t -151.58 122.66 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.4 p -86.13 18.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? 65.17 41.98 4.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -139.26 134.43 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.21 123.21 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tt -46.77 -52.58 13.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.9 m -79.53 130.0 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 46' ' ' LEU . 2.3 pp -112.28 169.15 9.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.5 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -96.2 151.13 19.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -57.99 -53.2 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.1 146.47 5.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -158.15 166.24 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -127.87 151.92 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.91 109.46 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.5 m -123.25 128.08 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.7 mt -89.59 110.89 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -76.99 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.6 p -53.69 145.22 15.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -111.91 126.16 54.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -76.94 125.15 28.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.31 165.86 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -106.15 -37.95 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.9 m -74.86 -68.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.8 p -85.26 -20.33 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt 61.48 45.99 7.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' SG ' ' A' ' 28' ' ' CYS . 4.2 p -105.72 148.86 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -75.58 140.74 42.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -151.55 149.26 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -65.46 146.69 98.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 2.89 3.14 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -95.6 -41.02 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.93 139.12 41.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 27' ' ' LYS . 30.9 pt -78.43 -33.8 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.0 pttm -131.36 177.07 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.8 t -76.59 168.52 19.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 30' ' ' ALA . 10.1 p -109.22 -27.49 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 29' ' ' VAL . . . -83.04 -64.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -87.91 -17.97 30.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 63.06 45.25 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -95.95 140.64 22.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.712 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 129.02 16.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 51.1 tttt -53.02 139.83 43.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.521 0.677 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.4 Cg_endo -69.78 -47.03 1.01 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.96 147.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -130.67 166.21 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 p -86.33 -41.01 14.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 m -59.34 139.57 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.13 -36.94 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 43' ' ' ALA . 2.7 tmm_? -46.22 -59.62 2.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . -36.18 -57.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.437 HD21 ' N ' ' A' ' 44' ' ' LEU . 4.5 mm? -77.1 137.88 39.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.1 p -115.04 142.72 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 47' ' ' THR . 1.3 pt? -88.58 -32.65 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.419 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 46.0 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -77.79 -58.07 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -65.8 167.63 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.04 -62.27 6.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 p -147.12 130.25 16.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -156.88 175.28 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.67 -84.06 0.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.22 175.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -62.62 107.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.84 -63.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.53 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -56.05 144.82 27.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.749 0.309 . . . . 0.0 111.139 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.502 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 19.9 p-90 -109.19 126.98 53.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.31 129.05 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 t -67.35 169.42 8.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -112.54 -32.72 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -77.07 -61.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.27 -20.86 20.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt 65.83 46.16 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -102.63 156.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -95.42 107.95 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -109.98 167.32 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 22' ' ' LYS . 11.3 mptt -77.01 150.54 81.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -10.07 27.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -83.98 -41.6 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.85 143.46 57.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 27' ' ' LYS . 19.9 pt -91.11 -32.84 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' N ' HG13 ' A' ' 26' ' ' ILE . 8.3 ptpt -115.26 177.97 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.86 168.78 13.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -110.09 -28.46 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.19 -63.4 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.03 -13.55 44.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 60.71 38.41 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 75.6 m -98.56 137.93 20.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.582 0.706 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 53.8 Cg_endo -69.78 137.35 35.19 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.502 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 43.3 tttt -52.54 139.62 38.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.562 0.696 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 54.4 Cg_endo -69.76 174.13 9.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.39 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.42 43.81 0.41 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 m -41.55 -42.79 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 111.151 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.6 p -95.74 174.48 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 41' ' ' LYS . 27.2 m -62.25 -41.48 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' N ' HG21 ' A' ' 40' ' ' VAL . 30.5 ttmt -162.12 160.07 26.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 42' ' ' ARG . 5.7 tmm_? -97.61 -37.71 9.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' C ' HD13 ' A' ' 44' ' ' LEU . . . -77.72 -44.57 27.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 43' ' ' ALA . 5.3 mp 60.99 45.32 9.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.5 p -129.78 169.18 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mp -107.42 104.69 14.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -82.35 15.61 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.908 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -86.12 107.73 17.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.82 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.98 -105.53 3.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -110.62 128.43 55.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -74.27 -45.04 50.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.05 43.4 0.44 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 t 56.43 32.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.336 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.0 mm -90.68 -40.81 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.05 -37.24 53.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.543 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.0 p -67.13 145.37 55.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.12 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 16.1 p-90 -117.13 130.6 56.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.99 124.67 28.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.7 t -64.66 166.5 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.4 -32.81 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.9 m -74.01 -63.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.1 p -95.64 -22.69 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 mt 68.0 41.94 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG12 ' ND2' ' A' ' 21' ' ' ASN . 3.9 p -98.89 148.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -67.71 105.3 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.518 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 1.3 m120 -95.25 162.79 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -98.73 150.89 37.13 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.556 0.693 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.97 37.27 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.15 -34.49 17.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.63 140.88 56.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 27' ' ' LYS . 22.3 pt -85.97 -33.0 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.7 ptpt -127.71 177.36 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.7 173.27 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -117.46 -30.29 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.04 -55.21 5.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.02 -14.88 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 62.76 39.03 11.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -95.78 140.8 22.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.57 0.7 . . . . 0.0 111.125 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.59 30.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.29 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.495 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 16.9 tttt -58.99 136.27 87.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.76 10.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.59 82.97 1.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.4 p -87.96 -55.38 3.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.165 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.7 p -67.41 160.05 28.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -60.96 126.73 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -80.26 -52.48 7.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -58.06 124.19 18.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.5 -49.29 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -39.6 -44.57 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.3 p -71.87 171.0 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -146.29 135.29 22.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -57.59 134.2 55.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t -63.73 111.61 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.02 -80.84 0.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 p 51.98 40.01 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.868 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.0 p -104.66 156.48 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.75 166.83 17.05 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.73 16.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mm -92.97 125.74 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.04 -39.7 2.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -61.17 147.34 44.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.147 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 35' ' ' LYS . 36.1 p-90 -111.4 123.07 49.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.04 140.35 52.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.54 162.21 22.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -109.62 -36.42 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -72.32 -63.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.1 p -92.21 -21.92 20.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt 63.86 48.03 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.451 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 95.7 t -117.68 142.09 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -67.36 138.86 57.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 43.7 m-80 -137.19 154.58 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -60.55 146.35 85.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.43 34.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.23 . . . . 0.0 112.347 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.47 -35.2 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.2 138.58 44.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 27' ' ' LYS . 41.8 pt -86.07 -36.42 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' N ' HG13 ' A' ' 26' ' ' ILE . 20.1 pttp -121.7 176.69 5.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.31 171.34 12.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -107.72 -33.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.41 -61.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -87.5 -17.16 32.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 63.38 42.48 6.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 34' ' ' PRO . 52.8 m -97.53 133.37 23.74 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.573 0.701 . . . . 0.0 111.125 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.405 ' N ' HG22 ' A' ' 33' ' ' THR . 54.0 Cg_endo -69.71 114.06 3.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.379 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 12' ' ' TRP . 36.6 tttt -54.59 141.65 54.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.3 Cg_endo -69.83 -44.93 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.92 48.54 4.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.2 p -60.87 122.36 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.3 m -133.84 122.78 23.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.8 142.87 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -104.65 154.6 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 162.98 26.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.86 176.79 5.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 tt -157.89 132.56 8.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.4 p -141.85 141.59 33.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 46' ' ' LEU . 10.1 mp -73.37 -62.94 1.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -88.8 153.21 21.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m -44.46 -59.41 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.89 -147.87 18.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 m -113.73 110.82 20.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -76.61 -50.89 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.18 -61.07 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -119.97 161.13 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 10' ' ' GLY . 28.2 mt -92.11 143.48 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.415 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -85.15 -87.04 0.93 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.1 p -72.49 137.17 46.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.751 0.31 . . . . 0.0 111.17 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.441 ' CE3' ' OD1' ' A' ' 21' ' ' ASN . 18.1 p-90 -117.51 126.11 52.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.22 129.11 37.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.8 t -62.7 167.38 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -108.69 -32.6 7.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.7 m -77.47 -66.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.442 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 24.6 p -91.37 -21.85 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt 67.81 39.83 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.481 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 9.1 p -99.12 145.03 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -63.08 116.88 5.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -103.68 165.86 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -87.92 149.87 46.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.515 0.674 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.39 32.19 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -98.58 16.95 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.63 141.44 43.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 27' ' ' LYS . 1.9 pp -90.69 -28.74 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB3' ' CD1' ' A' ' 26' ' ' ILE . 10.6 ptpt -128.66 174.86 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.442 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.3 t -76.86 170.11 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 30' ' ' ALA . 7.1 p -109.6 -27.8 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 29' ' ' VAL . . . -84.43 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -86.84 -16.91 34.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 63.65 39.96 8.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 t -92.41 140.7 24.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 138.57 38.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 36.6 tttm -59.93 138.71 90.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.526 0.679 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 54.1 Cg_endo -69.77 6.23 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.81 -136.39 5.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.2 t -64.5 151.92 43.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.333 . . . . 0.0 111.11 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 p -52.75 137.29 31.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.2 m -137.9 149.14 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 142.51 55.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -89.47 -42.67 11.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.41 131.78 43.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -142.81 149.1 38.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.9 p -140.54 132.82 28.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 tt -137.73 119.03 14.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -89.97 160.28 16.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -94.93 -49.0 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.2 120.07 4.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -55.99 -60.82 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -55.68 -49.09 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.1 -89.7 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -78.16 147.1 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.364 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 10' ' ' GLY . 25.4 mm -76.1 141.38 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -145.12 -51.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -58.06 168.0 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 111.124 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -141.49 115.43 9.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.48 155.47 39.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -89.92 167.2 13.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.09 -37.86 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.1 m -76.86 -67.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.2 p -83.43 -20.15 34.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt 59.75 44.77 13.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.07 131.18 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -60.64 138.75 58.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -138.8 156.56 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -63.38 149.84 90.85 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -25.41 28.52 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.317 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -71.61 -42.39 67.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.54 130.89 49.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 27' ' ' LYS . 42.6 pt -79.44 -36.62 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -117.21 177.93 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.93 170.49 16.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.9 p -111.82 -32.01 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.87 -64.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.22 -17.97 38.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 62.62 46.85 5.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.456 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 94.8 m -105.39 138.8 19.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.699 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.456 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.76 129.89 18.39 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -53.96 136.63 56.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.68 29.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.662 2.242 . . . . 0.0 112.331 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.08 50.94 4.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.9 t -107.14 121.74 45.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.2 p -87.16 -42.06 13.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 41' ' ' LYS . 6.9 p -55.43 139.2 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' N ' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -104.94 -30.33 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' N ' ' HG2' ' A' ' 41' ' ' LYS . 16.6 mmm180 -76.81 158.93 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.32 112.28 24.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.431 HD21 ' N ' ' A' ' 44' ' ' LEU . 2.7 pt? -163.87 154.9 16.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.5 p -131.51 163.32 28.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.34 166.27 12.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 m -75.0 112.43 11.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.806 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.2 p -138.36 116.16 11.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.61 42.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -47.66 -59.68 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -72.08 127.7 33.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.36 84.32 1.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.9 t -116.1 144.23 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.085 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.46 123.37 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.64 37.59 2.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.7 p -71.47 140.08 49.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 111.133 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.518 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 19.2 p-90 -109.5 122.31 47.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -70.54 141.06 51.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.4 t -89.68 163.11 15.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -114.97 -31.88 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -66.93 -61.25 2.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.1 p -99.58 -14.57 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 mt 64.1 38.47 8.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 87.2 t -113.34 138.44 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -56.35 147.65 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 1.1 m120 -135.48 152.49 51.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -74.3 149.16 86.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.54 29.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -79.62 -34.36 40.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.13 140.92 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 27' ' ' LYS . 24.6 pt -87.84 -33.03 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -129.8 155.24 46.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 1.8 t -53.09 170.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -108.55 -36.37 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.01 -64.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.45 -21.18 35.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 63.55 47.93 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -97.75 140.02 21.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.56 4.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.518 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 34.9 tttm -64.93 137.35 97.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.1 10.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.68 52.51 6.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.5 p -57.17 -57.61 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.171 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 67.9 m -109.09 121.6 45.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 41' ' ' LYS . 11.3 p -74.0 147.72 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.459 ' N ' HG22 ' A' ' 40' ' ' VAL . 7.6 mtmp? -111.05 117.04 32.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -63.66 107.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.13 162.26 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 tt -51.51 -59.3 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.8 m -91.48 109.19 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.476 ' CD2' ' C ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -116.85 16.15 15.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -88.63 120.11 29.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -105.71 102.72 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.52 -153.57 39.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -128.72 108.38 10.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 t -103.16 -38.02 7.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.24 82.45 0.35 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 t -94.51 16.33 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.38 112.79 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' O ' ' CG2' ' A' ' 11' ' ' THR . . . -161.08 90.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' A' ' 10' ' ' GLY . 19.3 p -161.38 152.0 17.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.766 0.317 . . . . 0.0 111.119 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.513 ' CZ3' ' HG3' ' A' ' 35' ' ' LYS . 25.4 p-90 -124.38 117.26 24.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -67.71 152.03 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.4 t -97.8 163.79 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -111.27 -30.87 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -70.86 -62.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.7 p -99.67 -18.84 17.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt 67.44 36.92 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.475 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 94.3 t -105.57 135.44 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -59.42 126.1 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.488 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -113.81 175.52 5.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -96.58 145.38 29.47 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -3.45 12.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -97.03 -35.59 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.21 139.71 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 27' ' ' LYS . 13.1 pt -81.41 -30.88 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' N ' HG13 ' A' ' 26' ' ' ILE . 10.6 ptpp? -126.48 177.94 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.04 166.46 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 30' ' ' ALA . 11.9 p -107.52 -28.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 29' ' ' VAL . . . -82.86 -63.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.75 -18.88 31.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 64.27 44.64 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 94.9 m -100.54 138.62 20.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.589 0.709 . . . . 0.0 111.189 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 53.6 Cg_endo -69.75 127.08 14.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HG3' ' CZ3' ' A' ' 12' ' ' TRP . 24.9 tttm -53.81 139.3 52.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.522 0.677 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.72 87.49 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.82 87.54 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.3 t -113.01 143.89 43.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 p -153.12 116.08 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 m -138.82 141.65 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -84.02 15.72 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -75.52 148.58 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.46 142.36 58.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mp -90.77 -59.44 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.9 t -110.47 151.83 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.45 162.7 28.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -86.85 17.1 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m 60.48 42.07 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.39 149.4 23.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -45.23 -56.02 5.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -58.15 120.92 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 -65.14 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 t -83.62 18.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.0 mt -97.54 129.82 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.46 40.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 p -60.53 148.7 36.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 111.106 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.406 ' CD1' ' NZ ' ' A' ' 35' ' ' LYS . 8.3 p-90 -115.47 128.23 55.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.38 137.33 38.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.06 170.45 16.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -116.1 -37.35 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.3 m -76.33 -64.56 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.3 p -86.53 -22.19 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.2 mt 61.85 47.37 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 80.7 t -117.62 136.46 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -66.19 143.02 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -139.75 171.28 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -77.71 145.99 71.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.06 35.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.385 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' ' NZ ' ' A' ' 41' ' ' LYS . 14.9 mt-10 -84.8 -39.49 18.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.56 131.6 50.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 27' ' ' LYS . 41.9 pt -76.62 -33.94 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.7 ptpt -121.04 176.7 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 t -78.71 169.95 17.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 p -107.41 -34.31 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.13 -64.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 p -86.16 -17.71 34.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 61.25 45.06 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.481 ' CG2' ' HD2' ' A' ' 34' ' ' PRO . 92.1 m -95.81 138.67 21.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.621 0.724 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.77 130.44 19.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 50.7 tttt -58.13 139.71 83.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 54.2 Cg_endo -69.77 3.41 2.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.87 -129.17 6.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.1 t -71.51 149.28 45.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.6 -52.35 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.6 m -119.21 161.89 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' A' ' 24' ' ' GLU . 44.0 mtmt -94.84 -56.72 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -54.81 145.07 20.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.0 107.44 18.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 mp -46.59 -59.75 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m -83.04 143.61 30.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' C ' HD13 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -53.91 -59.11 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -134.13 172.08 13.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 110.801 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -108.72 163.24 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.12 65.57 0.93 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -91.71 -48.15 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' A' ' 7' ' ' GLY . 87.5 p -62.74 -38.6 91.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' N ' ' HG ' ' A' ' 6' ' ' SER . . . -86.4 103.24 2.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -104.89 167.34 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.4 mt -80.12 -39.85 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.43 93.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.8 p -159.83 152.14 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.443 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 40.7 p-90 -124.69 129.99 51.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -79.42 160.03 26.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.96 166.03 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -111.94 -36.71 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.6 m -73.99 -64.55 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.2 p -86.65 -22.6 26.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.2 mt 64.98 46.6 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 20' ' ' GLN . 90.6 t -123.36 135.93 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 19' ' ' VAL . 5.1 tp60 -64.97 153.05 41.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -150.71 176.4 11.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -83.97 144.68 45.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -18.75 36.55 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.25 . . . . 0.0 112.314 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -76.07 -36.84 58.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.9 120.36 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -2.47 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -152.94 174.11 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -71.45 171.19 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 30' ' ' ALA . 10.0 p -107.1 -31.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 29' ' ' VAL . . . -85.66 -67.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -78.14 -22.3 49.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 63.89 39.36 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -87.0 140.56 32.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.9 9.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 17.5 tttp -55.67 140.55 66.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.75 103.02 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.667 2.244 . . . . 0.0 112.356 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.91 55.69 0.51 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 39' ' ' CYS . 11.2 t -94.66 -47.84 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.149 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' N ' HG21 ' A' ' 38' ' ' THR . 5.4 p 48.01 36.55 6.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.08 -27.34 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -80.94 14.18 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -58.99 115.79 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.15 34.31 19.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt 54.35 40.29 31.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.8 p -140.92 112.13 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 47' ' ' THR . 1.5 pt? -94.49 -38.12 11.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.465 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 13.0 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -58.9 -52.04 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.392 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -121.44 119.45 32.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.71 -46.63 91.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t -44.73 -50.84 9.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.903 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 t -108.78 116.06 31.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.56 -159.81 9.97 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 t -107.51 16.76 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mm -70.14 -39.82 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.51 -60.65 0.59 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -62.87 142.23 58.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.332 . . . . 0.0 111.138 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 23.5 p-90 -109.67 126.17 53.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.61 133.44 47.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -72.43 167.89 19.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.48 -33.96 5.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.7 m -74.32 -62.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.434 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 26.6 p -98.39 -17.46 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 mt 65.96 36.64 5.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.503 ' CG1' ' SG ' ' A' ' 28' ' ' CYS . 7.6 p -94.05 155.28 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -72.22 112.11 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.522 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -103.85 151.94 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -84.48 148.19 51.63 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.607 0.718 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -3.39 11.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -98.71 -36.32 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 133.54 45.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.464 HD13 ' CG ' ' A' ' 27' ' ' LYS . 2.3 pp -76.76 -34.51 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' CG ' HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -124.22 156.53 36.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 15.8 t -54.77 166.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.86 -21.02 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.35 -55.24 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.5 p -98.62 -15.89 19.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 63.66 36.64 10.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 t -87.05 140.59 32.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 131.51 21.41 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.375 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 50.2 tttt -62.3 140.08 96.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.5 Cg_endo -69.75 146.48 60.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.79 64.69 0.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.1 t -115.59 17.3 16.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.145 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.8 t -94.34 -50.78 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.93 147.84 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.8 tptp 60.22 41.16 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -53.18 132.72 38.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.67 -63.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 mt -94.41 174.65 7.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -137.06 143.88 42.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 mp -99.02 127.75 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.7 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.909 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m 58.42 42.12 21.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -111.78 124.42 52.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.86 -119.03 0.61 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -65.41 135.19 54.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -56.0 -53.4 57.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.29 -114.24 1.99 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.2 t -139.39 144.98 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.9 mm -56.15 110.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.64 -94.35 1.53 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.5 p -52.69 156.14 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 0.0 111.13 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.514 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 11.0 p-90 -118.15 127.09 53.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -76.05 117.27 17.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.08 166.69 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -113.79 -34.61 5.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.1 m -73.05 -59.76 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.411 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 23.6 p -97.67 -20.94 17.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt 67.87 42.51 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 7.2 p -103.03 146.81 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -86.88 113.34 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -116.85 163.95 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 22' ' ' LYS . 8.8 mptt -73.98 149.31 87.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.89 17.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -83.69 -43.8 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.63 137.05 58.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 26' ' ' ILE . 2.2 pp -80.48 -30.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.21 175.02 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -80.54 169.68 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.17 -32.83 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.93 -62.73 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' SG ' ' CG2' ' A' ' 33' ' ' THR . 29.8 p -94.37 1.94 55.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 9.0 pt-20 45.87 31.98 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.462 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 10.5 t -79.93 140.79 54.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.84 15.15 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 36.6 tttp -69.32 139.36 89.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.2 Cg_endo -69.75 93.32 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.298 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.81 141.32 38.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.1 t -108.6 147.33 31.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.322 . . . . 0.0 111.133 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 t -65.46 -62.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t -80.06 133.05 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -60.17 172.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -63.02 -51.87 65.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.0 152.06 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' THR . 9.3 mp -65.09 -34.65 78.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' LEU . 90.4 m -33.94 -45.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 pp -79.4 138.06 37.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -67.32 118.39 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 0.0 110.858 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t -63.58 -46.32 86.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.71 88.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -95.72 -54.45 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -40.97 -44.71 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.21 137.46 14.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -55.76 138.08 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.3 mt -101.9 121.22 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.79 -77.46 1.04 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 p -64.85 145.99 55.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.44 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 6.5 p-90 -112.79 135.72 53.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -83.96 129.8 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.03 169.06 16.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -113.54 -37.65 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.0 m -76.4 -65.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.8 p -83.72 -23.76 31.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt 62.18 48.01 5.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 97.2 t -119.71 136.19 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.449 ' N ' HG11 ' A' ' 19' ' ' VAL . 34.2 tt0 -60.93 144.38 53.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 28.0 m-80 -142.77 148.66 37.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' HE3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -62.01 153.54 73.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 110.9 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -33.52 16.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.18 -40.02 86.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.04 118.51 7.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.069 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.77 -24.4 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -125.69 174.48 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.8 t -74.42 173.15 10.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.96 -29.3 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.51 -56.51 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -92.3 -18.14 23.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 61.66 46.0 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 t -97.31 140.69 22.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.646 0.736 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 123.18 9.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 29.4 tttp -57.5 138.69 81.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.7 Cg_endo -69.81 -40.76 4.87 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.4 134.92 2.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.0 p -38.59 -52.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 0.0 111.148 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.3 p -55.1 177.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' LYS . 89.4 t -70.36 145.06 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' VAL . 17.1 mtpt -37.67 -59.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -132.34 170.56 14.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . -35.52 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 20.2 tp 66.56 45.61 2.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.404 ' C ' HD23 ' A' ' 46' ' ' LEU . 18.8 m -103.38 118.53 36.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' THR . 4.0 mm? -115.72 157.55 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' LEU . 8.9 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.746 0.308 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -115.98 138.26 51.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.09 118.93 25.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.5 t -58.8 172.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -115.87 -37.68 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.8 m -74.9 -65.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.559 ' SG ' HG12 ' A' ' 19' ' ' VAL . 18.9 p -88.76 -21.59 23.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 14' ' ' CYS . 28.9 mt 64.39 44.88 4.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.559 HG12 ' SG ' ' A' ' 17' ' ' CYS . 8.3 p -102.6 155.42 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -86.31 114.24 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -118.68 151.84 37.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -69.89 152.53 95.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.33 15.96 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -88.72 -39.09 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 118.42 9.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.581 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -64.52 -31.8 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' N ' HG12 ' A' ' 26' ' ' ILE . 16.5 pttm -126.57 172.98 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -74.88 171.66 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.3 p -111.16 -35.88 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.91 -63.05 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.541 ' SG ' HG22 ' A' ' 33' ' ' THR . 31.2 p -87.26 -19.86 27.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 63.79 40.63 7.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.541 HG22 ' SG ' ' A' ' 31' ' ' CYS . 12.3 t -93.62 140.8 23.21 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.567 0.699 . . . . 0.0 111.184 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 126.08 12.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.0 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.777 0.323 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.403 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 28.0 p-90 -110.53 118.68 36.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.75 148.65 50.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.65 170.4 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.39 -37.08 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -75.59 -64.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 p -87.86 -25.27 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt 65.27 47.99 2.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.0 t -119.18 131.47 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.83 146.74 40.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -144.49 166.32 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -75.83 145.2 77.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 0.11 6.17 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.7 2.266 . . . . 0.0 112.313 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -97.2 -38.48 9.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.5 123.1 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -66.93 -32.29 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -124.87 160.64 28.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -58.64 169.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.25 -28.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.67 -56.79 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -93.41 -19.33 21.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 64.66 44.81 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.594 HG23 ' HD2' ' A' ' 34' ' ' PRO . 85.8 m -95.31 137.6 22.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.594 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.74 125.1 11.76 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 60.9 tttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.576 0.703 . . . . 0.0 110.954 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 47.5 p-90 -124.98 117.42 23.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.08 145.28 55.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.62 169.67 11.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -117.42 -36.95 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.3 m -72.88 -64.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.467 ' SG ' HG23 ' A' ' 19' ' ' VAL . 17.2 p -92.54 -23.78 18.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.5 mt 67.77 45.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG23 ' SG ' ' A' ' 17' ' ' CYS . 91.9 t -114.92 131.23 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.37 144.74 45.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -144.83 166.34 25.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -76.52 150.23 82.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -34.29 14.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.34 -40.52 96.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.84 143.06 58.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.428 HD12 ' C ' ' A' ' 26' ' ' ILE . 2.4 pp -93.45 -23.77 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -120.55 178.06 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -86.17 172.22 10.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -105.06 -27.63 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.24 -59.67 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.47 -13.5 34.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' CD ' ' HD3' ' A' ' 27' ' ' LYS . 7.4 mm-40 55.44 45.61 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.648 HG23 ' HD2' ' A' ' 34' ' ' PRO . 97.4 m -96.91 138.72 21.32 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.602 0.715 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 33' ' ' THR . 54.3 Cg_endo -69.69 122.4 9.1 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 19.3 tttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.748 0.308 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 8.7 p-90 -107.16 127.32 53.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -71.23 123.86 23.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.499 ' HB2' HD22 ' A' ' 21' ' ' ASN . 8.6 t -64.32 166.75 7.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -112.54 -32.77 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.5 m -74.82 -64.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 30' ' ' ALA . 27.6 p -96.23 -20.39 18.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 14' ' ' CYS . 8.0 mt 68.0 39.24 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 p -96.79 151.86 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.33 109.34 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -102.17 149.43 24.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.06 147.57 58.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -8.92 24.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.601 2.2 . . . . 0.0 112.376 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 6.3 pt-20 -93.71 -34.1 13.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.449 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -70.3 141.91 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 27' ' ' LYS . 12.8 pt -85.09 -33.01 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -124.8 175.36 7.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -77.62 168.74 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.1 p -110.2 -27.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -83.38 -58.2 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 33' ' ' THR . 28.0 p -94.64 -19.97 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 64.47 44.0 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.418 HG22 ' SG ' ' A' ' 31' ' ' CYS . 14.7 t -94.74 141.03 22.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.633 0.73 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 128.73 16.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 tttm . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 22' ' ' LYS . 33.1 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.745 0.307 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.521 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 14.8 p-90 -124.53 132.05 53.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.04 129.62 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.534 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.7 t -75.89 167.31 22.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -115.87 -32.52 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -74.95 -61.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.451 ' SG ' HG12 ' A' ' 19' ' ' VAL . 23.9 p -100.01 -19.83 16.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 14' ' ' CYS . 11.0 mt 66.65 43.32 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 17' ' ' CYS . 4.9 p -102.76 147.11 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.94 106.55 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 10.0 m-80 -112.04 158.51 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.646 ' HA ' HG22 ' A' ' 11' ' ' THR . 65.8 mttt -78.87 154.03 77.93 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.55 0.691 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -26.02 28.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.44 -37.81 74.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.85 114.29 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -56.76 -32.34 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 26' ' ' ILE . 7.7 ptmt -131.97 174.45 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.477 ' HB2' HG22 ' A' ' 33' ' ' THR . 7.5 t -70.4 169.55 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -104.09 -30.45 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.83 -67.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -84.46 -17.86 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 61.88 41.49 11.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 28' ' ' CYS . 11.8 t -83.68 140.98 41.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.154 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.7 13.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.521 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 51.0 tttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.508 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 8.7 p-90 -100.6 140.58 34.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.97 145.55 28.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 t -89.67 165.17 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -112.85 -36.74 5.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -73.49 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.3 p -91.83 -23.66 19.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mt 64.59 46.33 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.4 t -117.3 131.63 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 20' ' ' GLN . 5.8 tt0 -59.65 145.45 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -142.7 172.89 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -81.14 143.73 53.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.538 0.685 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -8.0 22.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.656 2.238 . . . . 0.0 112.383 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 11.1 pt-20 -88.25 -40.9 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 27' ' ' LYS . 24.3 pt -81.21 -33.85 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -121.07 177.32 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 t -79.64 169.18 18.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.1 -32.69 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.59 -64.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 p -83.59 -21.49 32.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 64.14 43.7 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 34' ' ' PRO . 68.0 m -96.45 139.08 21.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.549 0.69 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 33' ' ' THR . 54.0 Cg_endo -69.76 116.8 4.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.254 . . . . 0.0 112.389 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 73.1 tttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.9 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 35' ' ' LYS . 14.7 p-90 -115.92 131.06 57.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -76.31 140.24 41.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.49 165.17 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -110.13 -37.64 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.1 m -72.66 -65.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.7 p -89.29 -21.9 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mt 63.43 48.02 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -118.31 136.37 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.39 142.81 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -142.54 177.73 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -78.21 146.88 71.79 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.698 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.16 20.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.623 2.215 . . . . 0.0 112.311 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -68.09 -41.89 81.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.59 142.03 40.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 27' ' ' LYS . 28.8 pt -88.54 -34.63 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 26' ' ' ILE . 6.6 ptpp? -120.2 176.97 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.44 169.78 16.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -108.24 -33.13 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.68 -64.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -81.33 -18.0 47.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.38 42.01 9.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.675 HG23 ' HD2' ' A' ' 34' ' ' PRO . 51.6 m -104.3 139.14 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.718 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.1 Cg_endo -69.86 118.29 5.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.286 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.56 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 50.6 tttm . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.513 0.673 . . . . 0.0 110.953 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -111.91 126.16 54.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -76.94 125.15 28.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.31 165.86 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -106.15 -37.95 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.9 m -74.86 -68.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.52 ' SG ' HG12 ' A' ' 19' ' ' VAL . 15.8 p -85.26 -20.33 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt 61.48 45.99 7.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.52 HG12 ' SG ' ' A' ' 17' ' ' CYS . 4.2 p -105.72 148.86 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -75.58 140.74 42.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -151.55 149.26 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -65.46 146.69 98.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 2.89 3.14 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -95.6 -41.02 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.93 139.12 41.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 27' ' ' LYS . 30.9 pt -78.43 -33.8 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.0 pttm -131.36 177.07 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.8 t -76.59 168.52 19.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.1 p -109.22 -27.49 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.04 -64.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -87.91 -17.97 30.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 63.06 45.25 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -95.95 140.64 22.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.712 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 129.02 16.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.1 tttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.521 0.677 . . . . 0.0 110.913 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.402 HG22 ' HA ' ' A' ' 22' ' ' LYS . 30.1 p . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.749 0.309 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.507 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 19.9 p-90 -109.19 126.98 53.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.31 129.05 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 t -67.35 169.42 8.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -112.54 -32.72 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -77.07 -61.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.27 -20.86 20.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt 65.83 46.16 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -102.63 156.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -95.42 107.95 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -109.98 167.32 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 11.3 mptt -77.01 150.54 81.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -10.07 27.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -83.98 -41.6 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.85 143.46 57.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.483 HG13 ' N ' ' A' ' 27' ' ' LYS . 19.9 pt -91.11 -32.84 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 26' ' ' ILE . 8.3 ptpt -115.26 177.97 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.86 168.78 13.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -110.09 -28.46 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.19 -63.4 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.03 -13.55 44.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 60.71 38.41 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.589 HG23 ' HD2' ' A' ' 34' ' ' PRO . 75.6 m -98.56 137.93 20.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.582 0.706 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.8 Cg_endo -69.78 137.35 35.19 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 43.3 tttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.562 0.696 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.793 0.33 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.536 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 16.1 p-90 -117.13 130.6 56.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.99 124.67 28.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' HB2' HD22 ' A' ' 21' ' ' ASN . 12.7 t -64.66 166.5 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.4 -32.81 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.9 m -74.01 -63.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 30' ' ' ALA . 31.1 p -95.64 -22.69 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 14' ' ' CYS . 8.1 mt 68.0 41.94 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.9 p -98.89 148.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -67.71 105.3 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.536 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.0 m-80 -95.25 162.79 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -98.73 150.89 37.13 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.556 0.693 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.97 37.27 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.15 -34.49 17.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.63 140.88 56.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 27' ' ' LYS . 22.3 pt -85.97 -33.0 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.7 ptpt -127.71 177.36 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.7 173.27 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -117.46 -30.29 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -80.04 -55.21 5.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.02 -14.88 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 62.76 39.03 11.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -95.78 140.8 22.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.57 0.7 . . . . 0.0 111.125 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.59 30.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.29 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 16.9 tttt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.747 0.308 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 35' ' ' LYS . 36.1 p-90 -111.4 123.07 49.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.04 140.35 52.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.489 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.8 t -82.54 162.21 22.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -109.62 -36.42 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -72.32 -63.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.1 p -92.21 -21.92 20.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 14' ' ' CYS . 12.8 mt 63.86 48.03 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.68 142.09 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -67.36 138.86 57.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -137.19 154.58 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -60.55 146.35 85.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.43 34.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.23 . . . . 0.0 112.347 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.47 -35.2 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.2 138.58 44.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 27' ' ' LYS . 41.8 pt -86.07 -36.42 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 26' ' ' ILE . 20.1 pttp -121.7 176.69 5.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.31 171.34 12.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -107.72 -33.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.41 -61.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -87.5 -17.16 32.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 63.38 42.48 6.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.433 HG23 ' HD2' ' A' ' 34' ' ' PRO . 52.8 m -97.53 133.37 23.74 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.573 0.701 . . . . 0.0 111.125 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 33' ' ' THR . 54.0 Cg_endo -69.71 114.06 3.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.379 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 12' ' ' TRP . 36.6 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.1 p . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.751 0.31 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.591 ' CE3' ' ND2' ' A' ' 21' ' ' ASN . 18.1 p-90 -117.51 126.11 52.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.22 129.11 37.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.496 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.8 t -62.7 167.38 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -108.69 -32.6 7.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.7 m -77.47 -66.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.635 ' SG ' HG12 ' A' ' 19' ' ' VAL . 24.6 p -91.37 -21.85 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 14' ' ' CYS . 12.6 mt 67.81 39.83 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.635 HG12 ' SG ' ' A' ' 17' ' ' CYS . 9.1 p -99.12 145.03 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -63.08 116.88 5.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.591 ' ND2' ' CE3' ' A' ' 12' ' ' TRP . 1.1 m-20 -103.68 165.86 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -87.92 149.87 46.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.515 0.674 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.39 32.19 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -98.58 16.95 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.63 141.44 43.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.519 HD12 ' HB3' ' A' ' 27' ' ' LYS . 1.9 pp -90.69 -28.74 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HB3' HD12 ' A' ' 26' ' ' ILE . 10.6 ptpt -128.66 174.86 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.442 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.3 t -76.86 170.11 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.6 -27.8 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.43 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 33' ' ' THR . 31.5 p -86.84 -16.91 34.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 63.65 39.96 8.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.453 HG22 ' SG ' ' A' ' 31' ' ' CYS . 10.9 t -92.41 140.7 24.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.124 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 138.57 38.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.6 tttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.526 0.679 . . . . 0.0 110.91 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.787 0.327 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -141.49 115.43 9.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.48 155.47 39.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -89.92 167.2 13.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.09 -37.86 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.1 m -76.86 -67.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.2 p -83.43 -20.15 34.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt 59.75 44.77 13.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.07 131.18 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -60.64 138.75 58.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -138.8 156.56 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -63.38 149.84 90.85 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -25.41 28.52 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.317 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -71.61 -42.39 67.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.54 130.89 49.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 27' ' ' LYS . 42.6 pt -79.44 -36.62 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -117.21 177.93 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.93 170.49 16.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.9 p -111.82 -32.01 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.87 -64.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.22 -17.97 38.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 62.62 46.85 5.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.65 HG23 ' HD2' ' A' ' 34' ' ' PRO . 94.8 m -105.39 138.8 19.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.699 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.76 129.89 18.39 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 tttm . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.7 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 19.2 p-90 -109.5 122.31 47.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -70.54 141.06 51.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.628 ' HB2' HD22 ' A' ' 21' ' ' ASN . 24.4 t -89.68 163.11 15.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -114.97 -31.88 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -66.93 -61.25 2.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.1 p -99.58 -14.57 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 mt 64.1 38.47 8.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 87.2 t -113.34 138.44 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.35 147.65 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.628 HD22 ' HB2' ' A' ' 14' ' ' CYS . 2.1 m-20 -135.48 152.49 51.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -74.3 149.16 86.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.54 29.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -79.62 -34.36 40.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.13 140.92 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 27' ' ' LYS . 24.6 pt -87.84 -33.03 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -129.8 155.24 46.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 1.8 t -53.09 170.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -108.55 -36.37 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.01 -64.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.45 -21.18 35.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 63.55 47.93 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.428 HG22 ' HB2' ' A' ' 28' ' ' CYS . 1.7 t -97.75 140.02 21.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 111.161 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.56 4.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 34.9 tttm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.766 0.317 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.51 ' CZ3' ' HG3' ' A' ' 35' ' ' LYS . 25.4 p-90 -124.38 117.26 24.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -67.71 152.03 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.515 ' HB2' HD22 ' A' ' 21' ' ' ASN . 49.4 t -97.8 163.79 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -111.27 -30.87 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -70.86 -62.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.7 p -99.67 -18.84 17.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt 67.44 36.92 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.57 135.44 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -59.42 126.1 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.515 HD22 ' HB2' ' A' ' 14' ' ' CYS . 1.3 m-20 -113.81 175.52 5.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -96.58 145.38 29.47 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -3.45 12.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -97.03 -35.59 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.21 139.71 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 27' ' ' LYS . 13.1 pt -81.41 -30.88 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 26' ' ' ILE . 10.6 ptpp? -126.48 177.94 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.04 166.46 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.9 p -107.52 -28.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.86 -63.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.75 -18.88 31.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 64.27 44.64 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.639 HG23 ' HD2' ' A' ' 34' ' ' PRO . 94.9 m -100.54 138.62 20.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.589 0.709 . . . . 0.0 111.189 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.6 Cg_endo -69.75 127.08 14.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.51 ' HG3' ' CZ3' ' A' ' 12' ' ' TRP . 24.9 tttm . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.522 0.677 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.796 0.331 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -115.47 128.23 55.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.38 137.33 38.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.9 t -77.06 170.45 16.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -116.1 -37.35 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.3 m -76.33 -64.56 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.3 p -86.53 -22.19 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 14' ' ' CYS . 32.2 mt 61.85 47.37 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 80.7 t -117.62 136.46 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -66.19 143.02 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -139.75 171.28 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -77.71 145.99 71.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.06 35.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.385 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -84.8 -39.49 18.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.56 131.6 50.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 27' ' ' LYS . 41.9 pt -76.62 -33.94 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.7 ptpt -121.04 176.7 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 t -78.71 169.95 17.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 p -107.41 -34.31 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.13 -64.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 p -86.16 -17.71 34.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 61.25 45.06 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.647 HG23 ' HD2' ' A' ' 34' ' ' PRO . 92.1 m -95.81 138.67 21.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.621 0.724 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.77 130.44 19.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.7 tttt . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.892 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.446 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 40.7 p-90 -124.69 129.99 51.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -79.42 160.03 26.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.96 166.03 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -111.94 -36.71 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.6 m -73.99 -64.55 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.2 p -86.65 -22.6 26.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.2 mt 64.98 46.6 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.36 135.93 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -64.97 153.05 41.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.424 ' OD1' HG12 ' A' ' 29' ' ' VAL . 12.7 m-80 -150.71 176.4 11.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -83.97 144.68 45.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -18.75 36.55 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.25 . . . . 0.0 112.314 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -76.07 -36.84 58.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.9 120.36 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.524 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -67.82 -2.47 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -152.94 174.11 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -71.45 171.19 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 ' OD1' ' A' ' 21' ' ' ASN . 10.0 p -107.1 -31.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.66 -67.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -78.14 -22.3 49.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 63.89 39.36 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -87.0 140.56 32.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.9 9.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 17.5 tttp . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.796 0.332 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 23.5 p-90 -109.67 126.17 53.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.61 133.44 47.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.8 t -72.43 167.89 19.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.48 -33.96 5.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.7 m -74.32 -62.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.567 ' SG ' HG12 ' A' ' 19' ' ' VAL . 26.6 p -98.39 -17.46 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 14' ' ' CYS . 14.1 mt 65.96 36.64 5.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.567 HG12 ' SG ' ' A' ' 17' ' ' CYS . 7.6 p -94.05 155.28 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -72.22 112.11 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.538 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -103.85 151.94 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -84.48 148.19 51.63 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.607 0.718 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -3.39 11.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -98.71 -36.32 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 133.54 45.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 27' ' ' LYS . 2.3 pp -76.76 -34.51 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -124.22 156.53 36.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 15.8 t -54.77 166.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.86 -21.02 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.35 -55.24 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.5 p -98.62 -15.89 19.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 63.66 36.64 10.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 t -87.05 140.59 32.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 131.51 21.41 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.375 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.2 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 22' ' ' LYS . 67.5 p . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.756 0.312 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.522 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 11.0 p-90 -118.15 127.09 53.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -76.05 117.27 17.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.08 166.69 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -113.79 -34.61 5.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.1 m -73.05 -59.76 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.579 ' SG ' HG12 ' A' ' 19' ' ' VAL . 23.6 p -97.67 -20.94 17.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt 67.87 42.51 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.579 HG12 ' SG ' ' A' ' 17' ' ' CYS . 7.2 p -103.03 146.81 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -86.88 113.34 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -116.85 163.95 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 8.8 mptt -73.98 149.31 87.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.89 17.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -83.69 -43.8 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.63 137.05 58.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.575 HD12 ' HB3' ' A' ' 27' ' ' LYS . 2.2 pp -80.48 -30.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB3' HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -127.21 175.02 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 179.838 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -80.54 169.68 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.17 -32.83 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -76.93 -62.73 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.504 ' SG ' HG22 ' A' ' 33' ' ' THR . 29.8 p -94.37 1.94 55.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 9.0 pt-20 45.87 31.98 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.504 HG22 ' SG ' ' A' ' 31' ' ' CYS . 10.5 t -79.93 140.79 54.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.84 15.15 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 36.6 tttp . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 22' ' ' LYS . 24.3 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.437 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 6.5 p-90 -112.79 135.72 53.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -83.96 129.8 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.8 t -72.03 169.06 16.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -113.54 -37.65 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.0 m -76.4 -65.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.8 p -83.72 -23.76 31.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 14' ' ' CYS . 46.9 mt 62.18 48.01 5.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 97.2 t -119.71 136.19 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.93 144.38 53.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 28.0 m-80 -142.77 148.66 37.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.485 ' HE3' ' N ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -62.01 153.54 73.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 110.9 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -33.52 16.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.18 -40.02 86.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.04 118.51 7.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.069 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 27' ' ' LYS . 2.7 pp -70.77 -24.4 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HB3' HD12 ' A' ' 26' ' ' ILE . 19.9 pttp -125.69 174.48 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.498 ' HB2' HG22 ' A' ' 33' ' ' THR . 2.8 t -74.42 173.15 10.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.96 -29.3 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.51 -56.51 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -92.3 -18.14 23.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 61.66 46.0 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.498 HG22 ' HB2' ' A' ' 28' ' ' CYS . 6.6 t -97.31 140.69 22.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.646 0.736 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 123.18 9.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 29.4 tttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -110.48 161.04 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 66.15 44.97 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.9 110.58 1.96 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 p -101.25 152.54 20.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 7' ' ' GLY . 23.7 p -86.5 133.09 33.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.06 109.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -82.71 17.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.343 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -93.19 176.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.15 -76.07 0.98 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 p -57.19 148.44 22.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.746 0.308 . . . . 0.0 111.188 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -115.98 138.26 51.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.09 118.93 25.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.5 t -58.8 172.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -115.87 -37.68 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.8 m -74.9 -65.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.559 ' SG ' HG12 ' A' ' 19' ' ' VAL . 18.9 p -88.76 -21.59 23.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 14' ' ' CYS . 28.9 mt 64.39 44.88 4.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.559 HG12 ' SG ' ' A' ' 17' ' ' CYS . 8.3 p -102.6 155.42 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -86.31 114.24 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -118.68 151.84 37.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -69.89 152.53 95.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.33 15.96 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -88.72 -39.09 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 118.42 9.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.581 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -64.52 -31.8 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' N ' HG12 ' A' ' 26' ' ' ILE . 16.5 pttm -126.57 172.98 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -74.88 171.66 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.3 p -111.16 -35.88 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.91 -63.05 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' SG ' HG22 ' A' ' 33' ' ' THR . 31.2 p -87.26 -19.86 27.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 63.79 40.63 7.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.541 HG22 ' SG ' ' A' ' 31' ' ' CYS . 12.3 t -93.62 140.8 23.21 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.567 0.699 . . . . 0.0 111.184 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 126.08 12.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 34.0 tttm -54.66 139.82 59.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.3 Cg_endo -69.85 177.77 5.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.99 89.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 39' ' ' CYS . 9.9 t -63.0 -43.89 97.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.776 0.322 . . . . 0.0 111.132 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' N ' HG23 ' A' ' 38' ' ' THR . 18.2 p -86.33 148.32 25.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 40' ' ' VAL . 31.0 m -95.96 120.9 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' ALA . 8.9 ptmm? -52.24 -44.04 64.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 41' ' ' LYS . 87.9 mtt-85 -33.97 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' LYS . . . -37.66 -52.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 44' ' ' LEU . 4.3 pp -60.64 170.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.3 m -87.71 130.04 34.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.29 165.31 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -101.11 139.07 37.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -96.88 158.6 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.02 88.41 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -74.85 137.29 41.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -78.61 -56.54 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.6 166.8 23.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.617 ' O ' HG12 ' A' ' 8' ' ' VAL . 20.7 t -80.7 14.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.4 mt -71.25 126.6 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.48 -81.36 1.47 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p -53.69 133.02 41.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.777 0.323 . . . . 0.0 111.086 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.403 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 28.0 p-90 -110.53 118.68 36.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.75 148.65 50.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.65 170.4 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.39 -37.08 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -75.59 -64.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 p -87.86 -25.27 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt 65.27 47.99 2.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.0 t -119.18 131.47 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.83 146.74 40.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -144.49 166.32 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -75.83 145.2 77.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 0.11 6.17 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.7 2.266 . . . . 0.0 112.313 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -97.2 -38.48 9.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.5 123.1 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -66.93 -32.29 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -124.87 160.64 28.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -58.64 169.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.25 -28.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.67 -56.79 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -93.41 -19.33 21.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 64.66 44.81 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.594 HG23 ' HD2' ' A' ' 34' ' ' PRO . 85.8 m -95.31 137.6 22.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.594 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.74 125.1 11.76 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 60.9 tttt -53.76 140.04 50.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.576 0.703 . . . . 0.0 110.954 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.75 -30.89 21.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.724 2.283 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.69 -103.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 p -96.66 155.68 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.5 t -154.46 114.9 3.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.33 144.89 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -66.03 -58.74 4.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -103.3 146.86 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.3 176.53 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.4 tp -64.67 136.11 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.5 m -71.42 128.62 36.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.549 ' C ' HD23 ' A' ' 46' ' ' LEU . 7.8 tt -129.51 113.38 14.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -95.86 145.75 25.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.376 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -124.61 138.51 54.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.817 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.44 78.99 1.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -39.45 -52.16 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 m 56.4 43.3 26.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.44 -69.95 0.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.6 m -84.66 141.6 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.5 mm -76.0 139.74 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.5 -128.52 6.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -54.62 153.17 6.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 47.5 p-90 -124.98 117.42 23.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.08 145.28 55.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.62 169.67 11.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -117.42 -36.95 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.3 m -72.88 -64.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.467 ' SG ' HG23 ' A' ' 19' ' ' VAL . 17.2 p -92.54 -23.78 18.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.5 mt 67.77 45.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG23 ' SG ' ' A' ' 17' ' ' CYS . 91.9 t -114.92 131.23 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.37 144.74 45.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -144.83 166.34 25.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -76.52 150.23 82.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -34.29 14.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.34 -40.52 96.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.84 143.06 58.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.428 HD12 ' C ' ' A' ' 26' ' ' ILE . 2.4 pp -93.45 -23.77 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -120.55 178.06 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -86.17 172.22 10.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -105.06 -27.63 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.24 -59.67 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.47 -13.5 34.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' CD ' ' HD3' ' A' ' 27' ' ' LYS . 7.4 mm-40 55.44 45.61 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.648 HG23 ' HD2' ' A' ' 34' ' ' PRO . 97.4 m -96.91 138.72 21.32 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.602 0.715 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 33' ' ' THR . 54.3 Cg_endo -69.69 122.4 9.1 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 19.3 tttt -53.5 138.63 50.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.73 84.15 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.19 41.22 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.432 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.0 m -45.59 -44.28 12.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 t -103.49 130.35 50.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.4 p -81.7 123.67 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -91.02 -56.28 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -99.5 150.42 22.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.37 119.07 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 44' ' ' LEU . 4.3 mm? -104.92 128.0 52.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 m -112.81 138.57 49.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.762 HD23 ' H ' ' A' ' 46' ' ' LEU . 1.5 pt? -58.71 -42.02 87.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.461 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 40.7 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -145.92 131.87 19.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -62.92 -56.74 14.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.82 86.7 1.89 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -78.82 -48.29 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -51.13 -47.12 62.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.83 55.61 2.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 m -104.99 132.4 51.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.9 mt -84.66 120.95 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.59 -99.45 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.3 p -66.61 142.42 57.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.308 . . . . 0.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 8.7 p-90 -107.16 127.32 53.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -71.23 123.86 23.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.499 ' HB2' HD22 ' A' ' 21' ' ' ASN . 8.6 t -64.32 166.75 7.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -112.54 -32.77 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.5 m -74.82 -64.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 30' ' ' ALA . 27.6 p -96.23 -20.39 18.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 14' ' ' CYS . 8.0 mt 68.0 39.24 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 p -96.79 151.86 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.33 109.34 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -102.17 149.43 24.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.06 147.57 58.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -8.92 24.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.601 2.2 . . . . 0.0 112.376 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 6.3 pt-20 -93.71 -34.1 13.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.449 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -70.3 141.91 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 27' ' ' LYS . 12.8 pt -85.09 -33.01 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -124.8 175.36 7.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -77.62 168.74 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.1 p -110.2 -27.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -83.38 -58.2 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 33' ' ' THR . 28.0 p -94.64 -19.97 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 64.47 44.0 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.418 HG22 ' SG ' ' A' ' 31' ' ' CYS . 14.7 t -94.74 141.03 22.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.633 0.73 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 128.73 16.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 48.9 tttm -63.25 139.34 97.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 54.0 Cg_endo -69.75 127.47 14.65 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.76 -49.36 0.81 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 t -80.96 14.05 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.321 . . . . 0.0 111.124 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 56.9 m -129.82 111.97 13.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.75 -27.8 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -45.46 -56.97 4.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -69.62 148.11 49.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.26 152.51 26.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -69.61 128.36 36.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -137.29 119.85 16.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.45 143.03 30.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 p -50.23 -47.28 55.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -67.91 130.4 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.15 130.92 8.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.0 m -133.72 148.77 51.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -66.96 115.5 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.84 -71.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.36 143.19 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.4 mt -118.77 116.01 49.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.82 -97.05 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 22' ' ' LYS . 33.1 p -52.54 155.17 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 111.171 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.521 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 14.8 p-90 -124.53 132.05 53.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.04 129.62 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.534 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.7 t -75.89 167.31 22.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -115.87 -32.52 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -74.95 -61.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.451 ' SG ' HG12 ' A' ' 19' ' ' VAL . 23.9 p -100.01 -19.83 16.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 14' ' ' CYS . 11.0 mt 66.65 43.32 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 17' ' ' CYS . 4.9 p -102.76 147.11 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.94 106.55 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 10.0 m-80 -112.04 158.51 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.646 ' HA ' HG22 ' A' ' 11' ' ' THR . 65.8 mttt -78.87 154.03 77.93 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.55 0.691 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -26.02 28.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.44 -37.81 74.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.85 114.29 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -56.76 -32.34 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 26' ' ' ILE . 7.7 ptmt -131.97 174.45 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.477 ' HB2' HG22 ' A' ' 33' ' ' THR . 7.5 t -70.4 169.55 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -104.09 -30.45 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.83 -67.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -84.46 -17.86 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 61.88 41.49 11.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 28' ' ' CYS . 11.8 t -83.68 140.98 41.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.154 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.7 13.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.521 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 51.0 tttt -63.79 136.83 96.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -13.62 34.79 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.24 46.23 4.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.3 m -74.26 -48.01 31.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.771 0.32 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 t -72.06 -63.43 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.75 133.78 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -61.51 -57.24 12.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' NH2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -117.74 103.86 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.467 ' HB3' ' NH2' ' A' ' 42' ' ' ARG . . . -33.83 -51.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' H ' ' CZ ' ' A' ' 42' ' ' ARG . 10.5 tp 65.02 44.65 3.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.8 p -70.43 166.64 19.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.1 mt -75.93 -58.01 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.975 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -92.68 128.94 38.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -116.09 172.15 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.74 -146.85 41.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -79.04 106.83 11.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -143.38 153.65 42.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.34 -127.68 8.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -136.75 112.7 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.339 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.721 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -50.48 -41.57 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -33.63 -42.82 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.6 p -52.11 130.07 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.508 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 8.7 p-90 -100.6 140.58 34.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.97 145.55 28.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 t -89.67 165.17 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -112.85 -36.74 5.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -73.49 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.3 p -91.83 -23.66 19.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mt 64.59 46.33 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.4 t -117.3 131.63 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.65 145.45 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -142.7 172.89 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -81.14 143.73 53.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.538 0.685 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -8.0 22.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.656 2.238 . . . . 0.0 112.383 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 11.1 pt-20 -88.25 -40.9 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 27' ' ' LYS . 24.3 pt -81.21 -33.85 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -121.07 177.32 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 t -79.64 169.18 18.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.1 -32.69 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.59 -64.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 p -83.59 -21.49 32.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 64.14 43.7 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 34' ' ' PRO . 68.0 m -96.45 139.08 21.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.549 0.69 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 33' ' ' THR . 54.0 Cg_endo -69.76 116.8 4.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.254 . . . . 0.0 112.389 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 73.1 tttt -54.44 139.4 58.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.5 Cg_endo -69.81 -12.02 31.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.16 131.04 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.428 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.4 p -95.1 -48.45 5.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.768 0.318 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.6 m 57.6 42.19 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 41' ' ' LYS . 28.3 m -53.0 -42.13 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 40' ' ' VAL . 1.1 ttmp? -47.8 -41.91 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 41' ' ' LYS . 10.2 tpp180 -36.82 -51.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 138.67 49.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 44' ' ' LEU . 4.6 pp -102.28 174.73 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' LEU . 60.4 p -126.38 146.05 50.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' THR . 17.6 tp -36.79 -62.14 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -136.47 169.95 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -53.67 117.03 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.06 -66.22 0.82 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -80.35 149.56 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 t -140.69 128.22 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.88 54.09 0.78 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 p -101.01 12.39 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.4 mm -99.75 119.5 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.9 -66.87 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.9 p -57.77 146.83 29.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 35' ' ' LYS . 14.7 p-90 -115.92 131.06 57.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -76.31 140.24 41.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.49 165.17 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -110.13 -37.64 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.1 m -72.66 -65.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.7 p -89.29 -21.9 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mt 63.43 48.02 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -118.31 136.37 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.39 142.81 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -142.54 177.73 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -78.21 146.88 71.79 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.698 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.16 20.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.623 2.215 . . . . 0.0 112.311 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -68.09 -41.89 81.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.59 142.03 40.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 27' ' ' LYS . 28.8 pt -88.54 -34.63 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 26' ' ' ILE . 6.6 ptpp? -120.2 176.97 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.44 169.78 16.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -108.24 -33.13 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.68 -64.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -81.33 -18.0 47.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.38 42.01 9.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.675 HG23 ' HD2' ' A' ' 34' ' ' PRO . 51.6 m -104.3 139.14 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.718 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.1 Cg_endo -69.86 118.29 5.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.286 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.56 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 50.6 tttm -56.38 139.71 73.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.513 0.673 . . . . 0.0 110.953 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.8 Cg_endo -69.74 121.58 8.28 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.33 -122.82 4.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.548 ' O ' HG22 ' A' ' 38' ' ' THR . 18.8 m 62.57 40.25 10.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 111.173 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.2 t -151.58 122.66 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 40' ' ' VAL . 8.4 p -86.13 18.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? 65.17 41.98 4.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -139.26 134.43 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.21 123.21 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tt -46.77 -52.58 13.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.9 m -79.53 130.0 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 pp -112.28 169.15 9.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.5 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -96.2 151.13 19.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -57.99 -53.2 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.1 146.47 5.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -158.15 166.24 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -127.87 151.92 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.91 109.46 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.5 m -123.25 128.08 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.7 mt -89.59 110.89 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -76.99 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.6 p -53.69 145.22 15.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -111.91 126.16 54.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -76.94 125.15 28.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.31 165.86 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -106.15 -37.95 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.9 m -74.86 -68.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.52 ' SG ' HG12 ' A' ' 19' ' ' VAL . 15.8 p -85.26 -20.33 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt 61.48 45.99 7.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.52 HG12 ' SG ' ' A' ' 17' ' ' CYS . 4.2 p -105.72 148.86 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -75.58 140.74 42.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -151.55 149.26 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -65.46 146.69 98.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 2.89 3.14 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -95.6 -41.02 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.93 139.12 41.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 27' ' ' LYS . 30.9 pt -78.43 -33.8 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.0 pttm -131.36 177.07 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.8 t -76.59 168.52 19.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.1 p -109.22 -27.49 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.04 -64.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -87.91 -17.97 30.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 63.06 45.25 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -95.95 140.64 22.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.712 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 129.02 16.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 51.1 tttt -53.02 139.83 43.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.521 0.677 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.4 Cg_endo -69.78 -47.03 1.01 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.96 147.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -130.67 166.21 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 p -86.33 -41.01 14.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 m -59.34 139.57 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.13 -36.94 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 43' ' ' ALA . 2.7 tmm_? -46.22 -59.62 2.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . -36.18 -57.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.1 137.88 39.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.1 p -115.04 142.72 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 46' ' ' LEU . 1.3 pt? -88.58 -32.65 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 47' ' ' THR . 46.0 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -77.79 -58.07 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -65.8 167.63 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.04 -62.27 6.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 p -147.12 130.25 16.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -156.88 175.28 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.67 -84.06 0.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.22 175.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -62.62 107.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.84 -63.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.53 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.402 HG22 ' HA ' ' A' ' 22' ' ' LYS . 30.1 p -56.05 144.82 27.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.749 0.309 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.507 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 19.9 p-90 -109.19 126.98 53.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.31 129.05 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 t -67.35 169.42 8.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -112.54 -32.72 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -77.07 -61.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.27 -20.86 20.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt 65.83 46.16 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -102.63 156.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -95.42 107.95 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -109.98 167.32 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 11.3 mptt -77.01 150.54 81.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -10.07 27.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -83.98 -41.6 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.85 143.46 57.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.483 HG13 ' N ' ' A' ' 27' ' ' LYS . 19.9 pt -91.11 -32.84 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 26' ' ' ILE . 8.3 ptpt -115.26 177.97 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.86 168.78 13.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -110.09 -28.46 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.19 -63.4 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.03 -13.55 44.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 60.71 38.41 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.589 HG23 ' HD2' ' A' ' 34' ' ' PRO . 75.6 m -98.56 137.93 20.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.582 0.706 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.8 Cg_endo -69.78 137.35 35.19 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 43.3 tttt -52.54 139.62 38.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.562 0.696 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 54.4 Cg_endo -69.76 174.13 9.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.39 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.42 43.81 0.41 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 m -41.55 -42.79 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 111.151 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.6 p -95.74 174.48 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 41' ' ' LYS . 27.2 m -62.25 -41.48 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' N ' HG23 ' A' ' 40' ' ' VAL . 30.5 ttmt -162.12 160.07 26.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.535 ' C ' HD12 ' A' ' 44' ' ' LEU . 5.7 tmm_? -97.61 -37.71 9.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.72 -44.57 27.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.535 HD12 ' C ' ' A' ' 42' ' ' ARG . 5.3 mp 60.99 45.32 9.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.5 p -129.78 169.18 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mp -107.42 104.69 14.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -82.35 15.61 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.908 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -86.12 107.73 17.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.82 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.98 -105.53 3.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -110.62 128.43 55.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -74.27 -45.04 50.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.05 43.4 0.44 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 8' ' ' VAL . 15.4 t 56.43 32.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.336 . . . . 0.0 111.154 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.0 mm -90.68 -40.81 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.05 -37.24 53.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.543 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.0 p -67.13 145.37 55.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.12 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.536 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 16.1 p-90 -117.13 130.6 56.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.99 124.67 28.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' HB2' HD22 ' A' ' 21' ' ' ASN . 12.7 t -64.66 166.5 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.4 -32.81 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.9 m -74.01 -63.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 30' ' ' ALA . 31.1 p -95.64 -22.69 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 14' ' ' CYS . 8.1 mt 68.0 41.94 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.9 p -98.89 148.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -67.71 105.3 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.536 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 2.0 m-80 -95.25 162.79 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -98.73 150.89 37.13 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.556 0.693 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.97 37.27 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.15 -34.49 17.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.63 140.88 56.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 27' ' ' LYS . 22.3 pt -85.97 -33.0 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.7 ptpt -127.71 177.36 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.7 173.27 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -117.46 -30.29 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -80.04 -55.21 5.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.02 -14.88 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 62.76 39.03 11.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -95.78 140.8 22.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.57 0.7 . . . . 0.0 111.125 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.59 30.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.29 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 16.9 tttt -58.99 136.27 87.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.76 10.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.59 82.97 1.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.4 p -87.96 -55.38 3.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.165 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.7 p -67.41 160.05 28.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 40' ' ' VAL . 12.4 p -60.96 126.73 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -80.26 -52.48 7.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -58.06 124.19 18.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.5 -49.29 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -39.6 -44.57 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.412 ' C ' HD12 ' A' ' 46' ' ' LEU . 81.3 p -71.87 171.0 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 45' ' ' THR . 5.1 mp -146.29 135.29 22.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -57.59 134.2 55.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t -63.73 111.61 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.02 -80.84 0.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 p 51.98 40.01 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.868 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.0 p -104.66 156.48 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.75 166.83 17.05 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.73 16.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mm -92.97 125.74 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.04 -39.7 2.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -61.17 147.34 44.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.147 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 35' ' ' LYS . 36.1 p-90 -111.4 123.07 49.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.04 140.35 52.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.489 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.8 t -82.54 162.21 22.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -109.62 -36.42 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -72.32 -63.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.1 p -92.21 -21.92 20.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 14' ' ' CYS . 12.8 mt 63.86 48.03 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.68 142.09 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -67.36 138.86 57.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -137.19 154.58 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -60.55 146.35 85.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.43 34.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.23 . . . . 0.0 112.347 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.47 -35.2 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.2 138.58 44.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 27' ' ' LYS . 41.8 pt -86.07 -36.42 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 26' ' ' ILE . 20.1 pttp -121.7 176.69 5.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.31 171.34 12.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -107.72 -33.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.41 -61.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -87.5 -17.16 32.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 63.38 42.48 6.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.433 HG23 ' HD2' ' A' ' 34' ' ' PRO . 52.8 m -97.53 133.37 23.74 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.573 0.701 . . . . 0.0 111.125 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 33' ' ' THR . 54.0 Cg_endo -69.71 114.06 3.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.379 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 12' ' ' TRP . 36.6 tttt -54.59 141.65 54.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.3 Cg_endo -69.83 -44.93 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.92 48.54 4.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.2 p -60.87 122.36 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.3 m -133.84 122.78 23.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.8 142.87 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -104.65 154.6 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 162.98 26.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.86 176.79 5.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 45' ' ' THR . 5.9 tt -157.89 132.56 8.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.61 ' N ' HD23 ' A' ' 44' ' ' LEU . 70.4 p -141.85 141.59 33.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mp -73.37 -62.94 1.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -88.8 153.21 21.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m -44.46 -59.41 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.89 -147.87 18.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 m -113.73 110.82 20.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -76.61 -50.89 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.18 -61.07 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -119.97 161.13 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.2 mt -92.11 143.48 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.15 -87.04 0.93 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.1 p -72.49 137.17 46.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.751 0.31 . . . . 0.0 111.17 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.591 ' CE3' ' ND2' ' A' ' 21' ' ' ASN . 18.1 p-90 -117.51 126.11 52.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.22 129.11 37.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.8 t -62.7 167.38 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -108.69 -32.6 7.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.7 m -77.47 -66.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.635 ' SG ' HG12 ' A' ' 19' ' ' VAL . 24.6 p -91.37 -21.85 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 14' ' ' CYS . 12.6 mt 67.81 39.83 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.635 HG12 ' SG ' ' A' ' 17' ' ' CYS . 9.1 p -99.12 145.03 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -63.08 116.88 5.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.591 ' ND2' ' CE3' ' A' ' 12' ' ' TRP . 1.1 m-20 -103.68 165.86 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -87.92 149.87 46.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.515 0.674 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.39 32.19 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -98.58 16.95 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.63 141.44 43.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.519 HD12 ' HB3' ' A' ' 27' ' ' LYS . 1.9 pp -90.69 -28.74 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HB3' HD12 ' A' ' 26' ' ' ILE . 10.6 ptpt -128.66 174.86 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.442 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.3 t -76.86 170.11 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.6 -27.8 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.43 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 33' ' ' THR . 31.5 p -86.84 -16.91 34.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 63.65 39.96 8.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.453 HG22 ' SG ' ' A' ' 31' ' ' CYS . 10.9 t -92.41 140.7 24.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.124 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 138.57 38.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 36.6 tttm -59.93 138.71 90.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.526 0.679 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 54.1 Cg_endo -69.77 6.23 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.81 -136.39 5.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.483 ' O ' HG13 ' A' ' 40' ' ' VAL . 14.2 t -64.5 151.92 43.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.333 . . . . 0.0 111.11 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 p -52.75 137.29 31.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 38' ' ' THR . 31.2 m -137.9 149.14 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 142.51 55.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -89.47 -42.67 11.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.41 131.78 43.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -142.81 149.1 38.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.9 p -140.54 132.82 28.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.433 ' C ' HD23 ' A' ' 46' ' ' LEU . 9.9 tt -137.73 119.03 14.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -89.97 160.28 16.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -94.93 -49.0 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.2 120.07 4.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -55.99 -60.82 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -55.68 -49.09 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.1 -89.7 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -78.16 147.1 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.364 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mm -76.1 141.38 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.12 -51.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -58.06 168.0 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 111.124 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -141.49 115.43 9.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.48 155.47 39.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -89.92 167.2 13.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.09 -37.86 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.1 m -76.86 -67.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.2 p -83.43 -20.15 34.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt 59.75 44.77 13.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.07 131.18 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -60.64 138.75 58.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -138.8 156.56 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -63.38 149.84 90.85 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -25.41 28.52 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.317 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -71.61 -42.39 67.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.54 130.89 49.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 27' ' ' LYS . 42.6 pt -79.44 -36.62 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -117.21 177.93 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.93 170.49 16.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.9 p -111.82 -32.01 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.87 -64.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.22 -17.97 38.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 62.62 46.85 5.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.65 HG23 ' HD2' ' A' ' 34' ' ' PRO . 94.8 m -105.39 138.8 19.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.699 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.76 129.89 18.39 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -53.96 136.63 56.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.68 29.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.662 2.242 . . . . 0.0 112.331 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.08 50.94 4.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 38' ' ' THR . 10.9 t -107.14 121.74 45.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 111.124 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.2 p -87.16 -42.06 13.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.554 HG21 HD21 ' A' ' 44' ' ' LEU . 6.9 p -55.43 139.2 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -104.94 -30.33 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.434 ' N ' ' HG2' ' A' ' 41' ' ' LYS . 16.6 mmm180 -76.81 158.93 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.32 112.28 24.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.554 HD21 HG21 ' A' ' 40' ' ' VAL . 2.7 pt? -163.87 154.9 16.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.5 p -131.51 163.32 28.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.34 166.27 12.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 47' ' ' THR . 8.8 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 m -75.0 112.43 11.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.806 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.2 p -138.36 116.16 11.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.61 42.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -47.66 -59.68 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -72.08 127.7 33.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.36 84.32 1.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.9 t -116.1 144.23 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.085 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.46 123.37 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.64 37.59 2.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.7 p -71.47 140.08 49.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 111.133 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 19.2 p-90 -109.5 122.31 47.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -70.54 141.06 51.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.4 t -89.68 163.11 15.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -114.97 -31.88 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -66.93 -61.25 2.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.1 p -99.58 -14.57 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 mt 64.1 38.47 8.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 87.2 t -113.34 138.44 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.35 147.65 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 1.1 m120 -135.48 152.49 51.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -74.3 149.16 86.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.54 29.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -79.62 -34.36 40.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.13 140.92 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 27' ' ' LYS . 24.6 pt -87.84 -33.03 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -129.8 155.24 46.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 1.8 t -53.09 170.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -108.55 -36.37 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.01 -64.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.45 -21.18 35.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 63.55 47.93 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.428 HG22 ' HB2' ' A' ' 28' ' ' CYS . 1.7 t -97.75 140.02 21.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 111.161 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.56 4.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 34.9 tttm -64.93 137.35 97.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.1 10.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.68 52.51 6.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.5 p -57.17 -57.61 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.171 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 67.9 m -109.09 121.6 45.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.0 147.72 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -111.05 117.04 32.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -63.66 107.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.13 162.26 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 tt -51.51 -59.3 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.8 m -91.48 109.19 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.549 HD13 ' H ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -116.85 16.15 15.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -88.63 120.11 29.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -105.71 102.72 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.52 -153.57 39.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -128.72 108.38 10.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 t -103.16 -38.02 7.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.24 82.45 0.35 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 8' ' ' VAL . 4.3 t -94.51 16.33 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 111.128 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.38 112.79 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.598 ' O ' HG23 ' A' ' 11' ' ' THR . . . -161.08 90.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 10' ' ' GLY . 19.3 p -161.38 152.0 17.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.766 0.317 . . . . 0.0 111.119 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.51 ' CZ3' ' HG3' ' A' ' 35' ' ' LYS . 25.4 p-90 -124.38 117.26 24.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -67.71 152.03 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.4 t -97.8 163.79 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -111.27 -30.87 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -70.86 -62.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.7 p -99.67 -18.84 17.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt 67.44 36.92 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.475 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 94.3 t -105.57 135.44 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -59.42 126.1 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.501 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -113.81 175.52 5.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -96.58 145.38 29.47 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -3.45 12.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -97.03 -35.59 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.21 139.71 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 27' ' ' LYS . 13.1 pt -81.41 -30.88 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 26' ' ' ILE . 10.6 ptpp? -126.48 177.94 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.04 166.46 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.9 p -107.52 -28.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.86 -63.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.75 -18.88 31.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 64.27 44.64 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.639 HG23 ' HD2' ' A' ' 34' ' ' PRO . 94.9 m -100.54 138.62 20.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.589 0.709 . . . . 0.0 111.189 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.6 Cg_endo -69.75 127.08 14.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.51 ' HG3' ' CZ3' ' A' ' 12' ' ' TRP . 24.9 tttm -53.81 139.3 52.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.522 0.677 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.72 87.49 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.82 87.54 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.3 t -113.01 143.89 43.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 p -153.12 116.08 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 m -138.82 141.65 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -84.02 15.72 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -75.52 148.58 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.46 142.36 58.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mp -90.77 -59.44 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.9 t -110.47 151.83 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.45 162.7 28.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -86.85 17.1 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m 60.48 42.07 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.39 149.4 23.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -45.23 -56.02 5.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -58.15 120.92 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 -65.14 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 8' ' ' VAL . 4.0 t -83.62 18.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.0 mt -97.54 129.82 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.46 40.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 p -60.53 148.7 36.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 111.106 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -115.47 128.23 55.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.38 137.33 38.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.9 t -77.06 170.45 16.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -116.1 -37.35 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.3 m -76.33 -64.56 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.3 p -86.53 -22.19 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 14' ' ' CYS . 32.2 mt 61.85 47.37 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 80.7 t -117.62 136.46 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -66.19 143.02 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -139.75 171.28 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -77.71 145.99 71.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.06 35.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.385 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' ' NZ ' ' A' ' 41' ' ' LYS . 14.9 mt-10 -84.8 -39.49 18.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.56 131.6 50.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 27' ' ' LYS . 41.9 pt -76.62 -33.94 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.7 ptpt -121.04 176.7 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 t -78.71 169.95 17.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 p -107.41 -34.31 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.13 -64.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 p -86.16 -17.71 34.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 61.25 45.06 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.647 HG23 ' HD2' ' A' ' 34' ' ' PRO . 92.1 m -95.81 138.67 21.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.621 0.724 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.77 130.44 19.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 50.7 tttt -58.13 139.71 83.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 54.2 Cg_endo -69.77 3.41 2.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.87 -129.17 6.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.1 t -71.51 149.28 45.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.6 -52.35 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.6 m -119.21 161.89 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' A' ' 24' ' ' GLU . 44.0 mtmt -94.84 -56.72 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -54.81 145.07 20.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.0 107.44 18.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.447 HD12 ' H ' ' A' ' 44' ' ' LEU . 6.0 mp -46.59 -59.75 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m -83.04 143.61 30.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -53.91 -59.11 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -134.13 172.08 13.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 110.801 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -108.72 163.24 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.12 65.57 0.93 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -91.71 -48.15 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -62.74 -38.6 91.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.4 103.24 2.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -104.89 167.34 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.4 mt -80.12 -39.85 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 11' ' ' THR . . . -60.43 93.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 10' ' ' GLY . 31.8 p -159.83 152.14 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.446 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 40.7 p-90 -124.69 129.99 51.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -79.42 160.03 26.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.96 166.03 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -111.94 -36.71 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.6 m -73.99 -64.55 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.2 p -86.65 -22.6 26.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.2 mt 64.98 46.6 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.36 135.93 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -64.97 153.05 41.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.424 ' OD1' HG12 ' A' ' 29' ' ' VAL . 12.7 m-80 -150.71 176.4 11.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -83.97 144.68 45.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -18.75 36.55 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.25 . . . . 0.0 112.314 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -76.07 -36.84 58.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.9 120.36 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.524 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -67.82 -2.47 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -152.94 174.11 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -71.45 171.19 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 ' OD1' ' A' ' 21' ' ' ASN . 10.0 p -107.1 -31.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.66 -67.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -78.14 -22.3 49.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 63.89 39.36 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -87.0 140.56 32.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.9 9.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 17.5 tttp -55.67 140.55 66.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.75 103.02 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.667 2.244 . . . . 0.0 112.356 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.91 55.69 0.51 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.589 ' OG1' HG22 ' A' ' 40' ' ' VAL . 11.2 t -94.66 -47.84 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.149 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.544 ' N ' HG23 ' A' ' 38' ' ' THR . 5.4 p 48.01 36.55 6.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.589 HG22 ' OG1' ' A' ' 38' ' ' THR . 34.8 m -105.08 -27.34 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -80.94 14.18 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -58.99 115.79 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 45' ' ' THR . . . 54.15 34.31 19.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt 54.35 40.29 31.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 43' ' ' ALA . 82.8 p -140.92 112.13 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.478 ' HG ' ' N ' ' A' ' 47' ' ' THR . 1.5 pt? -94.49 -38.12 11.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.478 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 13.0 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -58.9 -52.04 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.392 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -121.44 119.45 32.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.71 -46.63 91.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t -44.73 -50.84 9.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.903 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 t -108.78 116.06 31.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.56 -159.81 9.97 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.614 ' O ' HG12 ' A' ' 8' ' ' VAL . 19.7 t -107.51 16.76 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 111.13 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mm -70.14 -39.82 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.51 -60.65 0.59 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -62.87 142.23 58.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.332 . . . . 0.0 111.138 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 23.5 p-90 -109.67 126.17 53.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.61 133.44 47.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.8 t -72.43 167.89 19.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.48 -33.96 5.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.7 m -74.32 -62.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.567 ' SG ' HG12 ' A' ' 19' ' ' VAL . 26.6 p -98.39 -17.46 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 14' ' ' CYS . 14.1 mt 65.96 36.64 5.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.567 HG12 ' SG ' ' A' ' 17' ' ' CYS . 7.6 p -94.05 155.28 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -72.22 112.11 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.538 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.9 OUTLIER -103.85 151.94 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -84.48 148.19 51.63 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.607 0.718 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -3.39 11.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -98.71 -36.32 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 133.54 45.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 27' ' ' LYS . 2.3 pp -76.76 -34.51 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -124.22 156.53 36.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 15.8 t -54.77 166.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.86 -21.02 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.35 -55.24 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.5 p -98.62 -15.89 19.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 63.66 36.64 10.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 t -87.05 140.59 32.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 131.51 21.41 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.375 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 50.2 tttt -62.3 140.08 96.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.5 Cg_endo -69.75 146.48 60.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.79 64.69 0.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.1 t -115.59 17.3 16.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.145 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.8 t -94.34 -50.78 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.93 147.84 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.8 tptp 60.22 41.16 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -53.18 132.72 38.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.67 -63.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 mt -94.41 174.65 7.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -137.06 143.88 42.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 mp -99.02 127.75 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.7 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.909 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m 58.42 42.12 21.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -111.78 124.42 52.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.86 -119.03 0.61 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -65.41 135.19 54.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -56.0 -53.4 57.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.29 -114.24 1.99 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.2 t -139.39 144.98 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.9 mm -56.15 110.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.64 -94.35 1.53 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 22' ' ' LYS . 67.5 p -52.69 156.14 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 0.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.522 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 11.0 p-90 -118.15 127.09 53.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -76.05 117.27 17.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.08 166.69 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -113.79 -34.61 5.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.1 m -73.05 -59.76 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.579 ' SG ' HG12 ' A' ' 19' ' ' VAL . 23.6 p -97.67 -20.94 17.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt 67.87 42.51 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.579 HG12 ' SG ' ' A' ' 17' ' ' CYS . 7.2 p -103.03 146.81 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -86.88 113.34 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -116.85 163.95 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 8.8 mptt -73.98 149.31 87.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.89 17.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -83.69 -43.8 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.63 137.05 58.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.575 HD12 ' HB3' ' A' ' 27' ' ' LYS . 2.2 pp -80.48 -30.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB3' HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -127.21 175.02 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 179.838 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -80.54 169.68 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.17 -32.83 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -76.93 -62.73 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.504 ' SG ' HG22 ' A' ' 33' ' ' THR . 29.8 p -94.37 1.94 55.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 9.0 pt-20 45.87 31.98 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.504 HG22 ' SG ' ' A' ' 31' ' ' CYS . 10.5 t -79.93 140.79 54.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.84 15.15 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 36.6 tttp -69.32 139.36 89.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.2 Cg_endo -69.75 93.32 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.298 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.81 141.32 38.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.1 t -108.6 147.33 31.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.322 . . . . 0.0 111.133 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 t -65.46 -62.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t -80.06 133.05 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -60.17 172.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -63.02 -51.87 65.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.0 152.06 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' THR . 9.3 mp -65.09 -34.65 78.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' LEU . 90.4 m -33.94 -45.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 46' ' ' LEU . 1.4 pp -79.4 138.06 37.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -67.32 118.39 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 0.0 110.858 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t -63.58 -46.32 86.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.71 88.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -95.72 -54.45 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -40.97 -44.71 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.21 137.46 14.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -55.76 138.08 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.3 mt -101.9 121.22 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.79 -77.46 1.04 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 22' ' ' LYS . 24.3 p -64.85 145.99 55.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.437 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 6.5 p-90 -112.79 135.72 53.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -83.96 129.8 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.8 t -72.03 169.06 16.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -113.54 -37.65 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.0 m -76.4 -65.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.8 p -83.72 -23.76 31.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 14' ' ' CYS . 46.9 mt 62.18 48.01 5.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 97.2 t -119.71 136.19 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.93 144.38 53.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 28.0 m-80 -142.77 148.66 37.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.485 ' HE3' ' N ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -62.01 153.54 73.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 110.9 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -33.52 16.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.18 -40.02 86.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.04 118.51 7.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.069 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 27' ' ' LYS . 2.7 pp -70.77 -24.4 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HB3' HD12 ' A' ' 26' ' ' ILE . 19.9 pttp -125.69 174.48 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.498 ' HB2' HG22 ' A' ' 33' ' ' THR . 2.8 t -74.42 173.15 10.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.96 -29.3 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.51 -56.51 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -92.3 -18.14 23.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 61.66 46.0 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.498 HG22 ' HB2' ' A' ' 28' ' ' CYS . 6.6 t -97.31 140.69 22.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.646 0.736 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 123.18 9.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 29.4 tttp -57.5 138.69 81.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.7 Cg_endo -69.81 -40.76 4.87 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.4 134.92 2.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.0 p -38.59 -52.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 0.0 111.148 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.3 p -55.1 177.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' LYS . 89.4 t -70.36 145.06 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' VAL . 17.1 mtpt -37.67 -59.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -132.34 170.56 14.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . -35.52 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.435 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 20.2 tp 66.56 45.61 2.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.485 ' C ' HD22 ' A' ' 46' ' ' LEU . 18.8 m -103.38 118.53 36.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.485 HD22 ' C ' ' A' ' 45' ' ' THR . 4.0 mm? -115.72 157.55 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' LEU . 8.9 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.746 0.308 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -115.98 138.26 51.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.09 118.93 25.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.5 t -58.8 172.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -115.87 -37.68 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.8 m -74.9 -65.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.559 ' SG ' HG12 ' A' ' 19' ' ' VAL . 18.9 p -88.76 -21.59 23.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 14' ' ' CYS . 28.9 mt 64.39 44.88 4.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.559 HG12 ' SG ' ' A' ' 17' ' ' CYS . 8.3 p -102.6 155.42 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -86.31 114.24 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -118.68 151.84 37.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -69.89 152.53 95.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.33 15.96 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -88.72 -39.09 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 118.42 9.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.581 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -64.52 -31.8 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' N ' HG12 ' A' ' 26' ' ' ILE . 16.5 pttm -126.57 172.98 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -74.88 171.66 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.3 p -111.16 -35.88 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.91 -63.05 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.541 ' SG ' HG22 ' A' ' 33' ' ' THR . 31.2 p -87.26 -19.86 27.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 63.79 40.63 7.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.541 HG22 ' SG ' ' A' ' 31' ' ' CYS . 12.3 t -93.62 140.8 23.21 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.567 0.699 . . . . 0.0 111.184 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 126.08 12.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.0 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.777 0.323 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.403 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 28.0 p-90 -110.53 118.68 36.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.75 148.65 50.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.65 170.4 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.39 -37.08 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -75.59 -64.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 p -87.86 -25.27 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt 65.27 47.99 2.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.0 t -119.18 131.47 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.83 146.74 40.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -144.49 166.32 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -75.83 145.2 77.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 0.11 6.17 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.7 2.266 . . . . 0.0 112.313 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -97.2 -38.48 9.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.5 123.1 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -66.93 -32.29 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -124.87 160.64 28.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -58.64 169.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.25 -28.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.67 -56.79 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -93.41 -19.33 21.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 64.66 44.81 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.594 HG23 ' HD2' ' A' ' 34' ' ' PRO . 85.8 m -95.31 137.6 22.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.594 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.74 125.1 11.76 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 60.9 tttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.576 0.703 . . . . 0.0 110.954 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 47.5 p-90 -124.98 117.42 23.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.08 145.28 55.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.62 169.67 11.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -117.42 -36.95 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.3 m -72.88 -64.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.467 ' SG ' HG23 ' A' ' 19' ' ' VAL . 17.2 p -92.54 -23.78 18.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.5 mt 67.77 45.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG23 ' SG ' ' A' ' 17' ' ' CYS . 91.9 t -114.92 131.23 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.37 144.74 45.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -144.83 166.34 25.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -76.52 150.23 82.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -34.29 14.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.34 -40.52 96.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.84 143.06 58.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.428 HD12 ' C ' ' A' ' 26' ' ' ILE . 2.4 pp -93.45 -23.77 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -120.55 178.06 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -86.17 172.22 10.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -105.06 -27.63 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.24 -59.67 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.47 -13.5 34.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' CD ' ' HD3' ' A' ' 27' ' ' LYS . 7.4 mm-40 55.44 45.61 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.648 HG23 ' HD2' ' A' ' 34' ' ' PRO . 97.4 m -96.91 138.72 21.32 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.602 0.715 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 33' ' ' THR . 54.3 Cg_endo -69.69 122.4 9.1 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 19.3 tttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.748 0.308 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 8.7 p-90 -107.16 127.32 53.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -71.23 123.86 23.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.6 t -64.32 166.75 7.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -112.54 -32.77 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.5 m -74.82 -64.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 30' ' ' ALA . 27.6 p -96.23 -20.39 18.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 14' ' ' CYS . 8.0 mt 68.0 39.24 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.439 HG13 ' ND2' ' A' ' 21' ' ' ASN . 4.1 p -96.79 151.86 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.33 109.34 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -102.17 149.43 24.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.06 147.57 58.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -8.92 24.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.601 2.2 . . . . 0.0 112.376 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 6.3 pt-20 -93.71 -34.1 13.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.449 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -70.3 141.91 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 27' ' ' LYS . 12.8 pt -85.09 -33.01 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -124.8 175.36 7.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -77.62 168.74 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.1 p -110.2 -27.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -83.38 -58.2 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 33' ' ' THR . 28.0 p -94.64 -19.97 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 64.47 44.0 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.418 HG22 ' SG ' ' A' ' 31' ' ' CYS . 14.7 t -94.74 141.03 22.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.633 0.73 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 128.73 16.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 tttm . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 22' ' ' LYS . 33.1 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.745 0.307 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.521 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 14.8 p-90 -124.53 132.05 53.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.04 129.62 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.534 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.7 t -75.89 167.31 22.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -115.87 -32.52 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -74.95 -61.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.451 ' SG ' HG12 ' A' ' 19' ' ' VAL . 23.9 p -100.01 -19.83 16.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 14' ' ' CYS . 11.0 mt 66.65 43.32 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 17' ' ' CYS . 4.9 p -102.76 147.11 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.94 106.55 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 10.0 m-80 -112.04 158.51 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.646 ' HA ' HG22 ' A' ' 11' ' ' THR . 65.8 mttt -78.87 154.03 77.93 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.55 0.691 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -26.02 28.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.44 -37.81 74.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.85 114.29 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -56.76 -32.34 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 26' ' ' ILE . 7.7 ptmt -131.97 174.45 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.477 ' HB2' HG22 ' A' ' 33' ' ' THR . 7.5 t -70.4 169.55 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -104.09 -30.45 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.83 -67.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -84.46 -17.86 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 61.88 41.49 11.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 28' ' ' CYS . 11.8 t -83.68 140.98 41.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.154 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.7 13.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.521 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 51.0 tttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.508 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 8.7 p-90 -100.6 140.58 34.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.97 145.55 28.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 t -89.67 165.17 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -112.85 -36.74 5.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -73.49 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.3 p -91.83 -23.66 19.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mt 64.59 46.33 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.4 t -117.3 131.63 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.65 145.45 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -142.7 172.89 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -81.14 143.73 53.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.538 0.685 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -8.0 22.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.656 2.238 . . . . 0.0 112.383 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 11.1 pt-20 -88.25 -40.9 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 27' ' ' LYS . 24.3 pt -81.21 -33.85 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -121.07 177.32 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 t -79.64 169.18 18.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.1 -32.69 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.59 -64.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 p -83.59 -21.49 32.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 64.14 43.7 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 34' ' ' PRO . 68.0 m -96.45 139.08 21.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.549 0.69 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 33' ' ' THR . 54.0 Cg_endo -69.76 116.8 4.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.254 . . . . 0.0 112.389 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 73.1 tttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.9 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 35' ' ' LYS . 14.7 p-90 -115.92 131.06 57.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -76.31 140.24 41.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.49 165.17 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -110.13 -37.64 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.1 m -72.66 -65.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.7 p -89.29 -21.9 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mt 63.43 48.02 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -118.31 136.37 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.39 142.81 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -142.54 177.73 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -78.21 146.88 71.79 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.698 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.16 20.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.623 2.215 . . . . 0.0 112.311 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -68.09 -41.89 81.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.59 142.03 40.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 27' ' ' LYS . 28.8 pt -88.54 -34.63 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 26' ' ' ILE . 6.6 ptpp? -120.2 176.97 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.44 169.78 16.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -108.24 -33.13 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.68 -64.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -81.33 -18.0 47.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.38 42.01 9.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.675 HG23 ' HD2' ' A' ' 34' ' ' PRO . 51.6 m -104.3 139.14 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.718 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.1 Cg_endo -69.86 118.29 5.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.286 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.56 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 50.6 tttm . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.513 0.673 . . . . 0.0 110.953 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -111.91 126.16 54.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -76.94 125.15 28.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.31 165.86 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -106.15 -37.95 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.9 m -74.86 -68.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.52 ' SG ' HG12 ' A' ' 19' ' ' VAL . 15.8 p -85.26 -20.33 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt 61.48 45.99 7.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.52 HG12 ' SG ' ' A' ' 17' ' ' CYS . 4.2 p -105.72 148.86 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -75.58 140.74 42.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -151.55 149.26 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -65.46 146.69 98.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 2.89 3.14 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -95.6 -41.02 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.93 139.12 41.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 27' ' ' LYS . 30.9 pt -78.43 -33.8 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.0 pttm -131.36 177.07 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.8 t -76.59 168.52 19.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.1 p -109.22 -27.49 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.04 -64.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -87.91 -17.97 30.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 63.06 45.25 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -95.95 140.64 22.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.712 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 129.02 16.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.1 tttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.521 0.677 . . . . 0.0 110.913 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.402 HG22 ' HA ' ' A' ' 22' ' ' LYS . 30.1 p . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.749 0.309 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.507 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 19.9 p-90 -109.19 126.98 53.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.31 129.05 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 t -67.35 169.42 8.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -112.54 -32.72 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -77.07 -61.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.27 -20.86 20.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt 65.83 46.16 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -102.63 156.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -95.42 107.95 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -109.98 167.32 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 11.3 mptt -77.01 150.54 81.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -10.07 27.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -83.98 -41.6 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.85 143.46 57.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.483 HG13 ' N ' ' A' ' 27' ' ' LYS . 19.9 pt -91.11 -32.84 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 26' ' ' ILE . 8.3 ptpt -115.26 177.97 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.86 168.78 13.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -110.09 -28.46 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.19 -63.4 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.03 -13.55 44.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 60.71 38.41 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.589 HG23 ' HD2' ' A' ' 34' ' ' PRO . 75.6 m -98.56 137.93 20.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.582 0.706 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.8 Cg_endo -69.78 137.35 35.19 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 43.3 tttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.562 0.696 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.793 0.33 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.536 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 16.1 p-90 -117.13 130.6 56.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.99 124.67 28.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' HD23 ' A' ' 18' ' ' LEU . 12.7 t -64.66 166.5 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.4 -32.81 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.9 m -74.01 -63.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 30' ' ' ALA . 31.1 p -95.64 -22.69 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 14' ' ' CYS . 8.1 mt 68.0 41.94 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG13 ' ND2' ' A' ' 21' ' ' ASN . 3.9 p -98.89 148.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -67.71 105.3 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.536 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 1.3 m120 -95.25 162.79 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -98.73 150.89 37.13 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.556 0.693 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.97 37.27 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.15 -34.49 17.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.63 140.88 56.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 27' ' ' LYS . 22.3 pt -85.97 -33.0 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.7 ptpt -127.71 177.36 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.7 173.27 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -117.46 -30.29 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -80.04 -55.21 5.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.02 -14.88 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 62.76 39.03 11.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -95.78 140.8 22.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.57 0.7 . . . . 0.0 111.125 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.59 30.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.29 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 16.9 tttt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.747 0.308 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 35' ' ' LYS . 36.1 p-90 -111.4 123.07 49.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.04 140.35 52.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.489 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.8 t -82.54 162.21 22.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -109.62 -36.42 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -72.32 -63.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.1 p -92.21 -21.92 20.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 14' ' ' CYS . 12.8 mt 63.86 48.03 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.451 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 95.7 t -117.68 142.09 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -67.36 138.86 57.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 43.7 m-80 -137.19 154.58 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -60.55 146.35 85.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.43 34.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.23 . . . . 0.0 112.347 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.47 -35.2 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.2 138.58 44.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 27' ' ' LYS . 41.8 pt -86.07 -36.42 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 26' ' ' ILE . 20.1 pttp -121.7 176.69 5.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.31 171.34 12.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -107.72 -33.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.41 -61.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -87.5 -17.16 32.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 63.38 42.48 6.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.433 HG23 ' HD2' ' A' ' 34' ' ' PRO . 52.8 m -97.53 133.37 23.74 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.573 0.701 . . . . 0.0 111.125 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 33' ' ' THR . 54.0 Cg_endo -69.71 114.06 3.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.379 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 12' ' ' TRP . 36.6 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.1 p . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.751 0.31 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.441 ' CE3' ' OD1' ' A' ' 21' ' ' ASN . 18.1 p-90 -117.51 126.11 52.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.22 129.11 37.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.496 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.8 t -62.7 167.38 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -108.69 -32.6 7.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.7 m -77.47 -66.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.635 ' SG ' HG12 ' A' ' 19' ' ' VAL . 24.6 p -91.37 -21.85 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 14' ' ' CYS . 12.6 mt 67.81 39.83 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.635 HG12 ' SG ' ' A' ' 17' ' ' CYS . 9.1 p -99.12 145.03 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -63.08 116.88 5.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -103.68 165.86 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -87.92 149.87 46.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.515 0.674 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.39 32.19 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -98.58 16.95 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.63 141.44 43.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.519 HD12 ' HB3' ' A' ' 27' ' ' LYS . 1.9 pp -90.69 -28.74 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HB3' HD12 ' A' ' 26' ' ' ILE . 10.6 ptpt -128.66 174.86 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.442 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.3 t -76.86 170.11 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.6 -27.8 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.43 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 33' ' ' THR . 31.5 p -86.84 -16.91 34.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 63.65 39.96 8.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.453 HG22 ' SG ' ' A' ' 31' ' ' CYS . 10.9 t -92.41 140.7 24.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.124 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 138.57 38.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.6 tttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.526 0.679 . . . . 0.0 110.91 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.787 0.327 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -141.49 115.43 9.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.48 155.47 39.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -89.92 167.2 13.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.09 -37.86 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.1 m -76.86 -67.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.2 p -83.43 -20.15 34.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt 59.75 44.77 13.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.07 131.18 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -60.64 138.75 58.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -138.8 156.56 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -63.38 149.84 90.85 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -25.41 28.52 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.317 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -71.61 -42.39 67.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.54 130.89 49.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 27' ' ' LYS . 42.6 pt -79.44 -36.62 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -117.21 177.93 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.93 170.49 16.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.9 p -111.82 -32.01 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.87 -64.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.22 -17.97 38.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 62.62 46.85 5.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.65 HG23 ' HD2' ' A' ' 34' ' ' PRO . 94.8 m -105.39 138.8 19.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.699 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.76 129.89 18.39 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 tttm . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.736 HG21 HE21 ' A' ' 20' ' ' GLN . 50.7 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 19.2 p-90 -109.5 122.31 47.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -70.54 141.06 51.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.4 t -89.68 163.11 15.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -114.97 -31.88 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -66.93 -61.25 2.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.1 p -99.58 -14.57 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 mt 64.1 38.47 8.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 87.2 t -113.34 138.44 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.736 HE21 HG21 ' A' ' 11' ' ' THR . 45.6 tt0 -56.35 147.65 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 1.1 m120 -135.48 152.49 51.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -74.3 149.16 86.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.54 29.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -79.62 -34.36 40.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.13 140.92 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 27' ' ' LYS . 24.6 pt -87.84 -33.03 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -129.8 155.24 46.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 1.8 t -53.09 170.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -108.55 -36.37 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.01 -64.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.45 -21.18 35.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 63.55 47.93 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.428 HG22 ' HB2' ' A' ' 28' ' ' CYS . 1.7 t -97.75 140.02 21.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 111.161 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.56 4.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 34.9 tttm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.766 0.317 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.51 ' CZ3' ' HG3' ' A' ' 35' ' ' LYS . 25.4 p-90 -124.38 117.26 24.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -67.71 152.03 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.4 t -97.8 163.79 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -111.27 -30.87 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -70.86 -62.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.7 p -99.67 -18.84 17.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt 67.44 36.92 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.475 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 94.3 t -105.57 135.44 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -59.42 126.1 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.501 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -113.81 175.52 5.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -96.58 145.38 29.47 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -3.45 12.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -97.03 -35.59 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.21 139.71 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 27' ' ' LYS . 13.1 pt -81.41 -30.88 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 26' ' ' ILE . 10.6 ptpp? -126.48 177.94 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.04 166.46 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.9 p -107.52 -28.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.86 -63.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.75 -18.88 31.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 64.27 44.64 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.639 HG23 ' HD2' ' A' ' 34' ' ' PRO . 94.9 m -100.54 138.62 20.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.589 0.709 . . . . 0.0 111.189 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.6 Cg_endo -69.75 127.08 14.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.51 ' HG3' ' CZ3' ' A' ' 12' ' ' TRP . 24.9 tttm . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.522 0.677 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.796 0.331 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -115.47 128.23 55.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.38 137.33 38.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.9 t -77.06 170.45 16.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -116.1 -37.35 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.3 m -76.33 -64.56 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.3 p -86.53 -22.19 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 14' ' ' CYS . 32.2 mt 61.85 47.37 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 80.7 t -117.62 136.46 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -66.19 143.02 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -139.75 171.28 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -77.71 145.99 71.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.06 35.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.385 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -84.8 -39.49 18.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.56 131.6 50.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 27' ' ' LYS . 41.9 pt -76.62 -33.94 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.7 ptpt -121.04 176.7 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 t -78.71 169.95 17.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 p -107.41 -34.31 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.13 -64.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 p -86.16 -17.71 34.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 61.25 45.06 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.647 HG23 ' HD2' ' A' ' 34' ' ' PRO . 92.1 m -95.81 138.67 21.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.621 0.724 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.77 130.44 19.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.7 tttt . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.892 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.446 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 40.7 p-90 -124.69 129.99 51.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -79.42 160.03 26.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.96 166.03 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -111.94 -36.71 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.6 m -73.99 -64.55 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.2 p -86.65 -22.6 26.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.2 mt 64.98 46.6 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.36 135.93 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -64.97 153.05 41.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.424 ' OD1' HG12 ' A' ' 29' ' ' VAL . 12.7 m-80 -150.71 176.4 11.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -83.97 144.68 45.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -18.75 36.55 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.25 . . . . 0.0 112.314 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -76.07 -36.84 58.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.9 120.36 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.524 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -67.82 -2.47 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -152.94 174.11 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -71.45 171.19 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 ' OD1' ' A' ' 21' ' ' ASN . 10.0 p -107.1 -31.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.66 -67.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -78.14 -22.3 49.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 63.89 39.36 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -87.0 140.56 32.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.9 9.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 17.5 tttp . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.796 0.332 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 23.5 p-90 -109.67 126.17 53.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.61 133.44 47.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.8 t -72.43 167.89 19.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.48 -33.96 5.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.7 m -74.32 -62.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.567 ' SG ' HG12 ' A' ' 19' ' ' VAL . 26.6 p -98.39 -17.46 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 14' ' ' CYS . 14.1 mt 65.96 36.64 5.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.567 HG12 ' SG ' ' A' ' 17' ' ' CYS . 7.6 p -94.05 155.28 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -72.22 112.11 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.55 ' ND2' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -103.85 151.94 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -84.48 148.19 51.63 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.607 0.718 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -3.39 11.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -98.71 -36.32 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 133.54 45.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 27' ' ' LYS . 2.3 pp -76.76 -34.51 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -124.22 156.53 36.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 15.8 t -54.77 166.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.86 -21.02 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.35 -55.24 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.5 p -98.62 -15.89 19.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 63.66 36.64 10.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 t -87.05 140.59 32.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 131.51 21.41 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.375 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.2 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 22' ' ' LYS . 67.5 p . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.756 0.312 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.522 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 11.0 p-90 -118.15 127.09 53.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -76.05 117.27 17.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.08 166.69 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -113.79 -34.61 5.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.1 m -73.05 -59.76 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.579 ' SG ' HG12 ' A' ' 19' ' ' VAL . 23.6 p -97.67 -20.94 17.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt 67.87 42.51 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.579 HG12 ' SG ' ' A' ' 17' ' ' CYS . 7.2 p -103.03 146.81 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -86.88 113.34 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -116.85 163.95 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 8.8 mptt -73.98 149.31 87.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.89 17.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -83.69 -43.8 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.63 137.05 58.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.575 HD12 ' HB3' ' A' ' 27' ' ' LYS . 2.2 pp -80.48 -30.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB3' HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -127.21 175.02 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 179.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -80.54 169.68 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.17 -32.83 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -76.93 -62.73 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.504 ' SG ' HG22 ' A' ' 33' ' ' THR . 29.8 p -94.37 1.94 55.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 9.0 pt-20 45.87 31.98 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.504 HG22 ' SG ' ' A' ' 31' ' ' CYS . 10.5 t -79.93 140.79 54.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.84 15.15 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 36.6 tttp . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 22' ' ' LYS . 24.3 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.437 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 6.5 p-90 -112.79 135.72 53.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -83.96 129.8 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.8 t -72.03 169.06 16.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -113.54 -37.65 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.0 m -76.4 -65.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.8 p -83.72 -23.76 31.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 14' ' ' CYS . 46.9 mt 62.18 48.01 5.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 97.2 t -119.71 136.19 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.93 144.38 53.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 28.0 m-80 -142.77 148.66 37.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.485 ' HE3' ' N ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -62.01 153.54 73.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 110.9 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -33.52 16.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.18 -40.02 86.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.04 118.51 7.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.069 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 27' ' ' LYS . 2.7 pp -70.77 -24.4 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HB3' HD12 ' A' ' 26' ' ' ILE . 19.9 pttp -125.69 174.48 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.498 ' HB2' HG22 ' A' ' 33' ' ' THR . 2.8 t -74.42 173.15 10.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.96 -29.3 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.51 -56.51 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -92.3 -18.14 23.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 61.66 46.0 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.498 HG22 ' HB2' ' A' ' 28' ' ' CYS . 6.6 t -97.31 140.69 22.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.646 0.736 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 123.18 9.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' HD2' ' CD2' ' A' ' 12' ' ' TRP . 29.4 tttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -110.48 161.04 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 66.15 44.97 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.9 110.58 1.96 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 p -101.25 152.54 20.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 7' ' ' GLY . 23.7 p -86.5 133.09 33.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.06 109.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -82.71 17.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.343 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -93.19 176.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.15 -76.07 0.98 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 p -57.19 148.44 22.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.746 0.308 . . . . 0.0 111.188 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -115.98 138.26 51.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.09 118.93 25.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.851 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' O ' HD23 ' A' ' 18' ' ' LEU . 3.5 t -58.8 172.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -115.87 -37.68 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.8 m -74.9 -65.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.559 ' SG ' HG12 ' A' ' 19' ' ' VAL . 18.9 p -88.76 -21.59 23.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 14' ' ' CYS . 28.9 mt 64.39 44.88 4.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.559 HG12 ' SG ' ' A' ' 17' ' ' CYS . 8.3 p -102.6 155.42 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -86.31 114.24 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -118.68 151.84 37.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -69.89 152.53 95.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.33 15.96 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -88.72 -39.09 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.65 118.42 9.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.581 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -64.52 -31.8 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' N ' HG12 ' A' ' 26' ' ' ILE . 16.5 pttm -126.57 172.98 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -74.88 171.66 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.3 p -111.16 -35.88 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.91 -63.05 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' SG ' HG22 ' A' ' 33' ' ' THR . 31.2 p -87.26 -19.86 27.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 63.79 40.63 7.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.541 HG22 ' SG ' ' A' ' 31' ' ' CYS . 12.3 t -93.62 140.8 23.21 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.567 0.699 . . . . 0.0 111.184 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 126.08 12.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 34.0 tttm -54.66 139.82 59.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.3 Cg_endo -69.85 177.77 5.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.99 89.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 39' ' ' CYS . 9.9 t -63.0 -43.89 97.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.776 0.322 . . . . 0.0 111.132 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' N ' HG23 ' A' ' 38' ' ' THR . 18.2 p -86.33 148.32 25.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 40' ' ' VAL . 31.0 m -95.96 120.9 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' ALA . 8.9 ptmm? -52.24 -44.04 64.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 41' ' ' LYS . 87.9 mtt-85 -33.97 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' LYS . . . -37.66 -52.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 44' ' ' LEU . 4.3 pp -60.64 170.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.3 m -87.71 130.04 34.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.29 165.31 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -101.11 139.07 37.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -96.88 158.6 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.02 88.41 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -74.85 137.29 41.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.853 0.358 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -78.61 -56.54 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.6 166.8 23.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.617 ' O ' HG12 ' A' ' 8' ' ' VAL . 20.7 t -80.7 14.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.4 mt -71.25 126.6 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.48 -81.36 1.47 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 p -53.69 133.02 41.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.777 0.323 . . . . 0.0 111.086 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.403 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 28.0 p-90 -110.53 118.68 36.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.75 148.65 50.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.65 170.4 10.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.39 -37.08 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -75.59 -64.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 p -87.86 -25.27 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt 65.27 47.99 2.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.0 t -119.18 131.47 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.83 146.74 40.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -144.49 166.32 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -75.83 145.2 77.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 0.11 6.17 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.7 2.266 . . . . 0.0 112.313 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -97.2 -38.48 9.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.5 123.1 18.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -66.93 -32.29 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' N ' HG12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -124.87 160.64 28.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -58.64 169.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.25 -28.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.67 -56.79 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -93.41 -19.33 21.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 64.66 44.81 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.594 HG23 ' HD2' ' A' ' 34' ' ' PRO . 85.8 m -95.31 137.6 22.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.594 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.74 125.1 11.76 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 60.9 tttt -53.76 140.04 50.06 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.576 0.703 . . . . 0.0 110.954 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.75 -30.89 21.62 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.724 2.283 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.69 -103.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 p -96.66 155.68 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.5 t -154.46 114.9 3.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.33 144.89 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -66.03 -58.74 4.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -103.3 146.86 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.3 176.53 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.4 tp -64.67 136.11 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.5 m -71.42 128.62 36.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.549 ' C ' HD23 ' A' ' 46' ' ' LEU . 7.8 tt -129.51 113.38 14.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -95.86 145.75 25.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.376 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -124.61 138.51 54.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.817 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.44 78.99 1.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -39.45 -52.16 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 m 56.4 43.3 26.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.44 -69.95 0.18 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.6 m -84.66 141.6 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 111.095 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.5 mm -76.0 139.74 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.5 -128.52 6.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -54.62 153.17 6.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 47.5 p-90 -124.98 117.42 23.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.08 145.28 55.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.62 169.67 11.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -117.42 -36.95 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.3 m -72.88 -64.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.467 ' SG ' HG23 ' A' ' 19' ' ' VAL . 17.2 p -92.54 -23.78 18.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.5 mt 67.77 45.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG23 ' SG ' ' A' ' 17' ' ' CYS . 91.9 t -114.92 131.23 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.37 144.74 45.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -144.83 166.34 25.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -76.52 150.23 82.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -34.29 14.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.306 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.34 -40.52 96.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.84 143.06 58.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.428 HD12 ' C ' ' A' ' 26' ' ' ILE . 2.4 pp -93.45 -23.77 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' C ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -120.55 178.06 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -86.17 172.22 10.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -105.06 -27.63 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.24 -59.67 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.47 -13.5 34.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' CD ' ' HD3' ' A' ' 27' ' ' LYS . 7.4 mm-40 55.44 45.61 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.648 HG23 ' HD2' ' A' ' 34' ' ' PRO . 97.4 m -96.91 138.72 21.32 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.602 0.715 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 33' ' ' THR . 54.3 Cg_endo -69.69 122.4 9.1 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 19.3 tttt -53.5 138.63 50.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.73 84.15 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.19 41.22 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.432 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.0 m -45.59 -44.28 12.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.5 t -103.49 130.35 50.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.4 p -81.7 123.67 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -91.02 -56.28 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -99.5 150.42 22.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.37 119.07 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 44' ' ' LEU . 4.3 mm? -104.92 128.0 52.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 m -112.81 138.57 49.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.762 HD23 ' H ' ' A' ' 46' ' ' LEU . 1.5 pt? -58.71 -42.02 87.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.461 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 40.7 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -145.92 131.87 19.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -62.92 -56.74 14.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.82 86.7 1.89 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -78.82 -48.29 15.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -51.13 -47.12 62.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.83 55.61 2.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 m -104.99 132.4 51.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.9 mt -84.66 120.95 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.59 -99.45 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.3 p -66.61 142.42 57.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.308 . . . . 0.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 8.7 p-90 -107.16 127.32 53.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -71.23 123.86 23.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.6 t -64.32 166.75 7.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -112.54 -32.77 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.5 m -74.82 -64.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 30' ' ' ALA . 27.6 p -96.23 -20.39 18.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 14' ' ' CYS . 8.0 mt 68.0 39.24 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.439 HG13 ' ND2' ' A' ' 21' ' ' ASN . 4.1 p -96.79 151.86 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.33 109.34 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.6 OUTLIER -102.17 149.43 24.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.06 147.57 58.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -8.92 24.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.601 2.2 . . . . 0.0 112.376 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 6.3 pt-20 -93.71 -34.1 13.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.449 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -70.3 141.91 52.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 27' ' ' LYS . 12.8 pt -85.09 -33.01 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -124.8 175.36 7.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 t -77.62 168.74 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.1 p -110.2 -27.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -83.38 -58.2 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 33' ' ' THR . 28.0 p -94.64 -19.97 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 64.47 44.0 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.418 HG22 ' SG ' ' A' ' 31' ' ' CYS . 14.7 t -94.74 141.03 22.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.633 0.73 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 128.73 16.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 48.9 tttm -63.25 139.34 97.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 54.0 Cg_endo -69.75 127.47 14.65 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.76 -49.36 0.81 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 t -80.96 14.05 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.321 . . . . 0.0 111.124 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 56.9 m -129.82 111.97 13.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.75 -27.8 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -45.46 -56.97 4.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -69.62 148.11 49.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.26 152.51 26.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -69.61 128.36 36.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -137.29 119.85 16.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.45 143.03 30.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 p -50.23 -47.28 55.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -67.91 130.4 42.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.15 130.92 8.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.0 m -133.72 148.77 51.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t -66.96 115.5 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.84 -71.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.36 143.19 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.4 mt -118.77 116.01 49.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.82 -97.05 1.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 22' ' ' LYS . 33.1 p -52.54 155.17 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 111.171 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.521 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 14.8 p-90 -124.53 132.05 53.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.04 129.62 40.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.534 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.7 t -75.89 167.31 22.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -115.87 -32.52 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -74.95 -61.97 1.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.451 ' SG ' HG12 ' A' ' 19' ' ' VAL . 23.9 p -100.01 -19.83 16.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 14' ' ' CYS . 11.0 mt 66.65 43.32 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.451 HG12 ' SG ' ' A' ' 17' ' ' CYS . 4.9 p -102.76 147.11 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -74.94 106.55 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 10.0 m-80 -112.04 158.51 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.646 ' HA ' HG22 ' A' ' 11' ' ' THR . 65.8 mttt -78.87 154.03 77.93 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.55 0.691 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -26.02 28.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.44 -37.81 74.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.85 114.29 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -56.76 -32.34 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 26' ' ' ILE . 7.7 ptmt -131.97 174.45 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.477 ' HB2' HG22 ' A' ' 33' ' ' THR . 7.5 t -70.4 169.55 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -104.09 -30.45 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.83 -67.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -84.46 -17.86 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 61.88 41.49 11.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 28' ' ' CYS . 11.8 t -83.68 140.98 41.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.154 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.7 13.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.521 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 51.0 tttt -63.79 136.83 96.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -13.62 34.79 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.24 46.23 4.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.3 m -74.26 -48.01 31.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.771 0.32 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 t -72.06 -63.43 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.75 133.78 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -61.51 -57.24 12.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' NH2' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -117.74 103.86 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.467 ' HB3' ' NH2' ' A' ' 42' ' ' ARG . . . -33.83 -51.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' H ' ' CZ ' ' A' ' 42' ' ' ARG . 10.5 tp 65.02 44.65 3.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.8 p -70.43 166.64 19.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 36.1 mt -75.93 -58.01 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.975 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -92.68 128.94 38.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -116.09 172.15 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.74 -146.85 41.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -79.04 106.83 11.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -143.38 153.65 42.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.34 -127.68 8.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -136.75 112.7 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.339 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.721 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -50.48 -41.57 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -33.63 -42.82 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.6 p -52.11 130.07 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.508 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 8.7 p-90 -100.6 140.58 34.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.97 145.55 28.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 t -89.67 165.17 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -112.85 -36.74 5.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.0 m -73.49 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.3 p -91.83 -23.66 19.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mt 64.59 46.33 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.4 t -117.3 131.63 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.65 145.45 44.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -142.7 172.89 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -81.14 143.73 53.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.538 0.685 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -8.0 22.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.656 2.238 . . . . 0.0 112.383 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 11.1 pt-20 -88.25 -40.9 13.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -62.64 139.27 58.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 27' ' ' LYS . 24.3 pt -81.21 -33.85 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -121.07 177.32 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 t -79.64 169.18 18.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.1 -32.69 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.59 -64.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 p -83.59 -21.49 32.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 64.14 43.7 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 34' ' ' PRO . 68.0 m -96.45 139.08 21.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.549 0.69 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 33' ' ' THR . 54.0 Cg_endo -69.76 116.8 4.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.254 . . . . 0.0 112.389 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 73.1 tttt -54.44 139.4 58.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.5 Cg_endo -69.81 -12.02 31.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.16 131.04 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.428 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.4 p -95.1 -48.45 5.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.768 0.318 . . . . 0.0 111.137 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.6 m 57.6 42.19 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 41' ' ' LYS . 28.3 m -53.0 -42.13 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 40' ' ' VAL . 1.1 ttmp? -47.8 -41.91 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 41' ' ' LYS . 10.2 tpp180 -36.82 -51.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 138.67 49.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 44' ' ' LEU . 4.6 pp -102.28 174.73 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 46' ' ' LEU . 60.4 p -126.38 146.05 50.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 45' ' ' THR . 17.6 tp -36.79 -62.14 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -136.47 169.95 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -53.67 117.03 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.06 -66.22 0.82 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -80.35 149.56 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 t -140.69 128.22 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.88 54.09 0.78 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 p -101.01 12.39 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.4 mm -99.75 119.5 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.9 -66.87 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.9 p -57.77 146.83 29.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 35' ' ' LYS . 14.7 p-90 -115.92 131.06 57.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -76.31 140.24 41.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.49 165.17 20.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -110.13 -37.64 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.1 m -72.66 -65.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.7 p -89.29 -21.9 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mt 63.43 48.02 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -118.31 136.37 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.39 142.81 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -142.54 177.73 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -78.21 146.88 71.79 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.698 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.16 20.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.623 2.215 . . . . 0.0 112.311 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -68.09 -41.89 81.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.59 142.03 40.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 27' ' ' LYS . 28.8 pt -88.54 -34.63 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 26' ' ' ILE . 6.6 ptpp? -120.2 176.97 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -82.44 169.78 16.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -108.24 -33.13 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.68 -64.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -81.33 -18.0 47.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.38 42.01 9.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.675 HG23 ' HD2' ' A' ' 34' ' ' PRO . 51.6 m -104.3 139.14 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.718 . . . . 0.0 111.107 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.1 Cg_endo -69.86 118.29 5.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.286 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.56 ' HB2' ' CH2' ' A' ' 12' ' ' TRP . 50.6 tttm -56.38 139.71 73.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.513 0.673 . . . . 0.0 110.953 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.8 Cg_endo -69.74 121.58 8.28 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.377 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.33 -122.82 4.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.548 ' O ' HG22 ' A' ' 38' ' ' THR . 18.8 m 62.57 40.25 10.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.322 . . . . 0.0 111.173 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.2 t -151.58 122.66 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 40' ' ' VAL . 8.4 p -86.13 18.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? 65.17 41.98 4.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -139.26 134.43 32.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.21 123.21 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tt -46.77 -52.58 13.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.9 m -79.53 130.0 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 pp -112.28 169.15 9.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.5 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -96.2 151.13 19.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -57.99 -53.2 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.1 146.47 5.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -158.15 166.24 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -127.87 151.92 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.91 109.46 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.5 m -123.25 128.08 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.7 mt -89.59 110.89 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -76.99 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.6 p -53.69 145.22 15.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -111.91 126.16 54.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -76.94 125.15 28.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 t -62.31 165.86 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -106.15 -37.95 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.9 m -74.86 -68.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.52 ' SG ' HG12 ' A' ' 19' ' ' VAL . 15.8 p -85.26 -20.33 30.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt 61.48 45.99 7.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.52 HG12 ' SG ' ' A' ' 17' ' ' CYS . 4.2 p -105.72 148.86 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -75.58 140.74 42.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -151.55 149.26 28.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -65.46 146.69 98.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 2.89 3.14 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -95.6 -41.02 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.93 139.12 41.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 27' ' ' LYS . 30.9 pt -78.43 -33.8 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.0 pttm -131.36 177.07 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.8 t -76.59 168.52 19.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.1 p -109.22 -27.49 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.04 -64.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -87.91 -17.97 30.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 63.06 45.25 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -95.95 140.64 22.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.712 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 129.02 16.9 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 51.1 tttt -53.02 139.83 43.1 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.521 0.677 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.4 Cg_endo -69.78 -47.03 1.01 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.96 147.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -130.67 166.21 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 p -86.33 -41.01 14.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 m -59.34 139.57 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.13 -36.94 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 43' ' ' ALA . 2.7 tmm_? -46.22 -59.62 2.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . -36.18 -57.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.1 137.88 39.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.1 p -115.04 142.72 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 46' ' ' LEU . 1.3 pt? -88.58 -32.65 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 47' ' ' THR . 46.0 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -77.79 -58.07 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -65.8 167.63 9.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.04 -62.27 6.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 p -147.12 130.25 16.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -156.88 175.28 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.67 -84.06 0.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.22 175.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -62.62 107.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.84 -63.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.53 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.402 HG22 ' HA ' ' A' ' 22' ' ' LYS . 30.1 p -56.05 144.82 27.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.749 0.309 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.507 ' CG ' ' HE3' ' A' ' 35' ' ' LYS . 19.9 p-90 -109.19 126.98 53.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.31 129.05 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 t -67.35 169.42 8.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -112.54 -32.72 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.4 m -77.07 -61.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.27 -20.86 20.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt 65.83 46.16 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -102.63 156.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -95.42 107.95 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -109.98 167.32 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 11.3 mptt -77.01 150.54 81.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.877 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -10.07 27.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -83.98 -41.6 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.85 143.46 57.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.483 HG13 ' N ' ' A' ' 27' ' ' LYS . 19.9 pt -91.11 -32.84 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 26' ' ' ILE . 8.3 ptpt -115.26 177.97 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.86 168.78 13.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -110.09 -28.46 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.19 -63.4 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.03 -13.55 44.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 60.71 38.41 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.589 HG23 ' HD2' ' A' ' 34' ' ' PRO . 75.6 m -98.56 137.93 20.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.582 0.706 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.8 Cg_endo -69.78 137.35 35.19 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HE3' ' CG ' ' A' ' 12' ' ' TRP . 43.3 tttt -52.54 139.62 38.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.562 0.696 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 54.4 Cg_endo -69.76 174.13 9.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.39 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.42 43.81 0.41 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 m -41.55 -42.79 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 111.151 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.6 p -95.74 174.48 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 41' ' ' LYS . 27.2 m -62.25 -41.48 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' N ' HG23 ' A' ' 40' ' ' VAL . 30.5 ttmt -162.12 160.07 26.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.535 ' C ' HD12 ' A' ' 44' ' ' LEU . 5.7 tmm_? -97.61 -37.71 9.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.72 -44.57 27.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.535 HD12 ' C ' ' A' ' 42' ' ' ARG . 5.3 mp 60.99 45.32 9.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.5 p -129.78 169.18 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mp -107.42 104.69 14.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -82.35 15.61 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.908 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -86.12 107.73 17.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.82 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.98 -105.53 3.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -110.62 128.43 55.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -74.27 -45.04 50.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.05 43.4 0.44 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 8' ' ' VAL . 15.4 t 56.43 32.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.336 . . . . 0.0 111.154 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.0 mm -90.68 -40.81 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.05 -37.24 53.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.543 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.0 p -67.13 145.37 55.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.12 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.536 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 16.1 p-90 -117.13 130.6 56.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.99 124.67 28.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' HD23 ' A' ' 18' ' ' LEU . 12.7 t -64.66 166.5 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.4 -32.81 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.9 m -74.01 -63.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 30' ' ' ALA . 31.1 p -95.64 -22.69 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 14' ' ' CYS . 8.1 mt 68.0 41.94 1.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG13 ' ND2' ' A' ' 21' ' ' ASN . 3.9 p -98.89 148.82 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -67.71 105.3 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.536 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 1.3 m120 -95.25 162.79 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -98.73 150.89 37.13 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.556 0.693 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.97 37.27 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -88.15 -34.49 17.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.63 140.88 56.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 27' ' ' LYS . 22.3 pt -85.97 -33.0 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.7 ptpt -127.71 177.36 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.7 173.27 12.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -117.46 -30.29 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -80.04 -55.21 5.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.02 -14.88 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 62.76 39.03 11.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 t -95.78 140.8 22.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.57 0.7 . . . . 0.0 111.125 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.59 30.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.29 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 16.9 tttt -58.99 136.27 87.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.76 10.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.59 82.97 1.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.4 p -87.96 -55.38 3.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.165 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.7 p -67.41 160.05 28.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 40' ' ' VAL . 12.4 p -60.96 126.73 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -80.26 -52.48 7.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -58.06 124.19 18.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.5 -49.29 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -39.6 -44.57 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.412 ' C ' HD12 ' A' ' 46' ' ' LEU . 81.3 p -71.87 171.0 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 45' ' ' THR . 5.1 mp -146.29 135.29 22.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -57.59 134.2 55.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t -63.73 111.61 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.02 -80.84 0.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 p 51.98 40.01 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.868 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.0 p -104.66 156.48 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.75 166.83 17.05 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.73 16.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mm -92.97 125.74 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.04 -39.7 2.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -61.17 147.34 44.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 111.147 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 35' ' ' LYS . 36.1 p-90 -111.4 123.07 49.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.04 140.35 52.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.489 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.8 t -82.54 162.21 22.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -109.62 -36.42 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -72.32 -63.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.1 p -92.21 -21.92 20.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 14' ' ' CYS . 12.8 mt 63.86 48.03 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.451 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 95.7 t -117.68 142.09 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -67.36 138.86 57.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 43.7 m-80 -137.19 154.58 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -60.55 146.35 85.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -13.43 34.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.23 . . . . 0.0 112.347 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.47 -35.2 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.2 138.58 44.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 27' ' ' LYS . 41.8 pt -86.07 -36.42 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 26' ' ' ILE . 20.1 pttp -121.7 176.69 5.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.31 171.34 12.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -107.72 -33.6 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.41 -61.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -87.5 -17.16 32.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 63.38 42.48 6.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.433 HG23 ' HD2' ' A' ' 34' ' ' PRO . 52.8 m -97.53 133.37 23.74 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.573 0.701 . . . . 0.0 111.125 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 33' ' ' THR . 54.0 Cg_endo -69.71 114.06 3.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.379 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 12' ' ' TRP . 36.6 tttt -54.59 141.65 54.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.3 Cg_endo -69.83 -44.93 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.92 48.54 4.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.2 p -60.87 122.36 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.3 m -133.84 122.78 23.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.8 142.87 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -104.65 154.6 19.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 162.98 26.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.86 176.79 5.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 45' ' ' THR . 5.9 tt -157.89 132.56 8.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.61 ' N ' HD23 ' A' ' 44' ' ' LEU . 70.4 p -141.85 141.59 33.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mp -73.37 -62.94 1.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -88.8 153.21 21.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m -44.46 -59.41 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.89 -147.87 18.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 m -113.73 110.82 20.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -76.61 -50.89 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.18 -61.07 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -119.97 161.13 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 111.122 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.2 mt -92.11 143.48 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.15 -87.04 0.93 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.1 p -72.49 137.17 46.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.751 0.31 . . . . 0.0 111.17 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.441 ' CE3' ' OD1' ' A' ' 21' ' ' ASN . 18.1 p-90 -117.51 126.11 52.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.22 129.11 37.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' O ' HD23 ' A' ' 18' ' ' LEU . 9.8 t -62.7 167.38 4.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -108.69 -32.6 7.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.7 m -77.47 -66.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.635 ' SG ' HG12 ' A' ' 19' ' ' VAL . 24.6 p -91.37 -21.85 20.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 14' ' ' CYS . 12.6 mt 67.81 39.83 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.635 HG12 ' SG ' ' A' ' 17' ' ' CYS . 9.1 p -99.12 145.03 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -63.08 116.88 5.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -103.68 165.86 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -87.92 149.87 46.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.515 0.674 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -22.39 32.19 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -98.58 16.95 20.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.63 141.44 43.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.519 HD12 ' HB3' ' A' ' 27' ' ' LYS . 1.9 pp -90.69 -28.74 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HB3' HD12 ' A' ' 26' ' ' ILE . 10.6 ptpt -128.66 174.86 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.442 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 5.3 t -76.86 170.11 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.6 -27.8 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.43 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 33' ' ' THR . 31.5 p -86.84 -16.91 34.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 63.65 39.96 8.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.453 HG22 ' SG ' ' A' ' 31' ' ' CYS . 10.9 t -92.41 140.7 24.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.124 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 138.57 38.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 36.6 tttm -59.93 138.71 90.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.526 0.679 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 54.1 Cg_endo -69.77 6.23 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.81 -136.39 5.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.483 ' O ' HG13 ' A' ' 40' ' ' VAL . 14.2 t -64.5 151.92 43.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.333 . . . . 0.0 111.11 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 p -52.75 137.29 31.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 38' ' ' THR . 31.2 m -137.9 149.14 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 142.51 55.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -89.47 -42.67 11.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.41 131.78 43.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -142.81 149.1 38.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.9 p -140.54 132.82 28.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.433 ' C ' HD23 ' A' ' 46' ' ' LEU . 9.9 tt -137.73 119.03 14.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -89.97 160.28 16.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -94.93 -49.0 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.2 120.07 4.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -55.99 -60.82 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -55.68 -49.09 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.1 -89.7 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -78.16 147.1 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.364 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mm -76.1 141.38 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.12 -51.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.4 p -58.06 168.0 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 111.124 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -141.49 115.43 9.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.48 155.47 39.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -89.92 167.2 13.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.09 -37.86 6.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.1 m -76.86 -67.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.2 p -83.43 -20.15 34.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 mt 59.75 44.77 13.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.07 131.18 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -60.64 138.75 58.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -138.8 156.56 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -63.38 149.84 90.85 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -25.41 28.52 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.317 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -71.61 -42.39 67.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.54 130.89 49.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 27' ' ' LYS . 42.6 pt -79.44 -36.62 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -117.21 177.93 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.93 170.49 16.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.9 p -111.82 -32.01 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.87 -64.87 1.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.22 -17.97 38.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 62.62 46.85 5.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.65 HG23 ' HD2' ' A' ' 34' ' ' PRO . 94.8 m -105.39 138.8 19.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.699 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.76 129.89 18.39 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -53.96 136.63 56.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.68 29.17 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.662 2.242 . . . . 0.0 112.331 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.08 50.94 4.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 38' ' ' THR . 10.9 t -107.14 121.74 45.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 0.0 111.124 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.2 p -87.16 -42.06 13.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.554 HG21 HD21 ' A' ' 44' ' ' LEU . 6.9 p -55.43 139.2 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -104.94 -30.33 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.434 ' N ' ' HG2' ' A' ' 41' ' ' LYS . 16.6 mmm180 -76.81 158.93 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.32 112.28 24.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.554 HD21 HG21 ' A' ' 40' ' ' VAL . 2.7 pt? -163.87 154.9 16.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.5 p -131.51 163.32 28.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.34 166.27 12.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 47' ' ' THR . 8.8 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 m -75.0 112.43 11.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.806 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.2 p -138.36 116.16 11.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.61 42.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -47.66 -59.68 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -72.08 127.7 33.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.36 84.32 1.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.9 t -116.1 144.23 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 111.085 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.46 123.37 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.64 37.59 2.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.736 HG21 HE21 ' A' ' 20' ' ' GLN . 50.7 p -71.47 140.08 49.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 111.133 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 19.2 p-90 -109.5 122.31 47.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -70.54 141.06 51.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.4 t -89.68 163.11 15.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -114.97 -31.88 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -66.93 -61.25 2.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.1 p -99.58 -14.57 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.8 mt 64.1 38.47 8.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 87.2 t -113.34 138.44 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.736 HE21 HG21 ' A' ' 11' ' ' THR . 45.6 tt0 -56.35 147.65 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 1.1 m120 -135.48 152.49 51.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -74.3 149.16 86.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.54 29.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -79.62 -34.36 40.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.13 140.92 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 27' ' ' LYS . 24.6 pt -87.84 -33.03 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -129.8 155.24 46.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 1.8 t -53.09 170.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -108.55 -36.37 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.01 -64.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.45 -21.18 35.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 63.55 47.93 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.428 HG22 ' HB2' ' A' ' 28' ' ' CYS . 1.7 t -97.75 140.02 21.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 111.161 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.56 4.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 34.9 tttm -64.93 137.35 97.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.1 10.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 43.68 52.51 6.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.5 p -57.17 -57.61 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.171 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 67.9 m -109.09 121.6 45.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.0 147.72 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -111.05 117.04 32.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -63.66 107.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.13 162.26 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 tt -51.51 -59.3 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.8 m -91.48 109.19 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.549 HD13 ' H ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -116.85 16.15 15.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -88.63 120.11 29.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -105.71 102.72 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.52 -153.57 39.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -128.72 108.38 10.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 t -103.16 -38.02 7.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.24 82.45 0.35 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 8' ' ' VAL . 4.3 t -94.51 16.33 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 111.128 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.38 112.79 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.598 ' O ' HG23 ' A' ' 11' ' ' THR . . . -161.08 90.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 10' ' ' GLY . 19.3 p -161.38 152.0 17.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.766 0.317 . . . . 0.0 111.119 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.51 ' CZ3' ' HG3' ' A' ' 35' ' ' LYS . 25.4 p-90 -124.38 117.26 24.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -67.71 152.03 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.4 t -97.8 163.79 12.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -111.27 -30.87 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -70.86 -62.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.7 p -99.67 -18.84 17.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt 67.44 36.92 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.475 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 94.3 t -105.57 135.44 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -59.42 126.1 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.501 ' HB2' ' CE2' ' A' ' 12' ' ' TRP . 0.8 OUTLIER -113.81 175.52 5.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -96.58 145.38 29.47 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -3.45 12.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -97.03 -35.59 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.21 139.71 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 27' ' ' LYS . 13.1 pt -81.41 -30.88 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 26' ' ' ILE . 10.6 ptpp? -126.48 177.94 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.04 166.46 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.9 p -107.52 -28.75 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.86 -63.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.75 -18.88 31.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 64.27 44.64 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.639 HG23 ' HD2' ' A' ' 34' ' ' PRO . 94.9 m -100.54 138.62 20.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.589 0.709 . . . . 0.0 111.189 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.6 Cg_endo -69.75 127.08 14.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.51 ' HG3' ' CZ3' ' A' ' 12' ' ' TRP . 24.9 tttm -53.81 139.3 52.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.522 0.677 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.72 87.49 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.82 87.54 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.3 t -113.01 143.89 43.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 p -153.12 116.08 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 m -138.82 141.65 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -84.02 15.72 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -75.52 148.58 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.46 142.36 58.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mp -90.77 -59.44 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.9 t -110.47 151.83 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.45 162.7 28.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -86.85 17.1 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m 60.48 42.07 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.39 149.4 23.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -45.23 -56.02 5.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -58.15 120.92 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 -65.14 0.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 8' ' ' VAL . 4.0 t -83.62 18.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.0 mt -97.54 129.82 47.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.46 40.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 p -60.53 148.7 36.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.796 0.331 . . . . 0.0 111.106 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -115.47 128.23 55.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.38 137.33 38.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.9 t -77.06 170.45 16.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -116.1 -37.35 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.3 m -76.33 -64.56 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.3 p -86.53 -22.19 26.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 14' ' ' CYS . 32.2 mt 61.85 47.37 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 80.7 t -117.62 136.46 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -66.19 143.02 57.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -139.75 171.28 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -77.71 145.99 71.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.06 35.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.385 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' ' NZ ' ' A' ' 41' ' ' LYS . 14.9 mt-10 -84.8 -39.49 18.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.56 131.6 50.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 27' ' ' LYS . 41.9 pt -76.62 -33.94 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' N ' HG13 ' A' ' 26' ' ' ILE . 13.7 ptpt -121.04 176.7 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 t -78.71 169.95 17.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 p -107.41 -34.31 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.13 -64.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.0 p -86.16 -17.71 34.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 61.25 45.06 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.647 HG23 ' HD2' ' A' ' 34' ' ' PRO . 92.1 m -95.81 138.67 21.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.621 0.724 . . . . 0.0 111.154 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 33' ' ' THR . 53.9 Cg_endo -69.77 130.44 19.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.659 2.239 . . . . 0.0 112.323 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 50.7 tttt -58.13 139.71 83.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.561 0.696 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 54.2 Cg_endo -69.77 3.41 2.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.87 -129.17 6.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.1 t -71.51 149.28 45.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.6 -52.35 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.6 m -119.21 161.89 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' NZ ' ' O ' ' A' ' 24' ' ' GLU . 44.0 mtmt -94.84 -56.72 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -54.81 145.07 20.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.0 107.44 18.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.447 HD12 ' H ' ' A' ' 44' ' ' LEU . 6.0 mp -46.59 -59.75 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.5 m -83.04 143.61 30.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -53.91 -59.11 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -134.13 172.08 13.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 110.801 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -108.72 163.24 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.12 65.57 0.93 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -91.71 -48.15 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -62.74 -38.6 91.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.4 103.24 2.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m -104.89 167.34 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.4 mt -80.12 -39.85 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 11' ' ' THR . . . -60.43 93.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 10' ' ' GLY . 31.8 p -159.83 152.14 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.446 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 40.7 p-90 -124.69 129.99 51.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -79.42 160.03 26.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.96 166.03 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -111.94 -36.71 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.6 m -73.99 -64.55 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.2 p -86.65 -22.6 26.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.2 mt 64.98 46.6 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.36 135.93 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -64.97 153.05 41.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.424 ' OD1' HG12 ' A' ' 29' ' ' VAL . 12.7 m-80 -150.71 176.4 11.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -83.97 144.68 45.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -18.75 36.55 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.25 . . . . 0.0 112.314 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -76.07 -36.84 58.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.9 120.36 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.524 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -67.82 -2.47 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -152.94 174.11 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -71.45 171.19 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 ' OD1' ' A' ' 21' ' ' ASN . 10.0 p -107.1 -31.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.66 -67.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -78.14 -22.3 49.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 63.89 39.36 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.7 t -87.0 140.56 32.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.9 9.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 17.5 tttp -55.67 140.55 66.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.75 103.02 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.667 2.244 . . . . 0.0 112.356 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.91 55.69 0.51 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.589 ' OG1' HG22 ' A' ' 40' ' ' VAL . 11.2 t -94.66 -47.84 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 111.149 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.544 ' N ' HG23 ' A' ' 38' ' ' THR . 5.4 p 48.01 36.55 6.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.589 HG22 ' OG1' ' A' ' 38' ' ' THR . 34.8 m -105.08 -27.34 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -80.94 14.18 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -58.99 115.79 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 45' ' ' THR . . . 54.15 34.31 19.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt 54.35 40.29 31.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 43' ' ' ALA . 82.8 p -140.92 112.13 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.478 ' HG ' ' N ' ' A' ' 47' ' ' THR . 1.5 pt? -94.49 -38.12 11.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.478 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 13.0 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -58.9 -52.04 67.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.392 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -121.44 119.45 32.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.71 -46.63 91.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t -44.73 -50.84 9.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.903 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 t -108.78 116.06 31.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.56 -159.81 9.97 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.614 ' O ' HG12 ' A' ' 8' ' ' VAL . 19.7 t -107.51 16.76 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 111.13 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mm -70.14 -39.82 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.51 -60.65 0.59 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -62.87 142.23 58.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.332 . . . . 0.0 111.138 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CE2' ' HB2' ' A' ' 21' ' ' ASN . 23.5 p-90 -109.67 126.17 53.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -69.61 133.44 47.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' O ' HD23 ' A' ' 18' ' ' LEU . 4.8 t -72.43 167.89 19.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.48 -33.96 5.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.7 m -74.32 -62.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.567 ' SG ' HG12 ' A' ' 19' ' ' VAL . 26.6 p -98.39 -17.46 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 14' ' ' CYS . 14.1 mt 65.96 36.64 5.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.567 HG12 ' SG ' ' A' ' 17' ' ' CYS . 7.6 p -94.05 155.28 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -72.22 112.11 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.55 ' ND2' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -103.85 151.94 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -84.48 148.19 51.63 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.607 0.718 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -3.39 11.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -98.71 -36.32 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 133.54 45.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 27' ' ' LYS . 2.3 pp -76.76 -34.51 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -124.22 156.53 36.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' CG1' ' A' ' 19' ' ' VAL . 15.8 t -54.77 166.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.0 p -108.86 -21.02 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.35 -55.24 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.5 p -98.62 -15.89 19.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 63.66 36.64 10.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 t -87.05 140.59 32.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 131.51 21.41 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.375 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 50.2 tttt -62.3 140.08 96.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.5 Cg_endo -69.75 146.48 60.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.236 . . . . 0.0 112.365 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.79 64.69 0.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.1 t -115.59 17.3 16.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.145 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.8 t -94.34 -50.78 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.8 t -59.93 147.84 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.8 tptp 60.22 41.16 17.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -53.18 132.72 38.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.67 -63.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 mt -94.41 174.65 7.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -137.06 143.88 42.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 mp -99.02 127.75 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.7 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.909 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m 58.42 42.12 21.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -111.78 124.42 52.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.86 -119.03 0.61 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -65.41 135.19 54.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -56.0 -53.4 57.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.29 -114.24 1.99 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.2 t -139.39 144.98 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.9 mm -56.15 110.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.64 -94.35 1.53 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 22' ' ' LYS . 67.5 p -52.69 156.14 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 0.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.522 ' CE2' ' HD2' ' A' ' 35' ' ' LYS . 11.0 p-90 -118.15 127.09 53.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -76.05 117.27 17.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.08 166.69 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -113.79 -34.61 5.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.1 m -73.05 -59.76 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.579 ' SG ' HG12 ' A' ' 19' ' ' VAL . 23.6 p -97.67 -20.94 17.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt 67.87 42.51 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.579 HG12 ' SG ' ' A' ' 17' ' ' CYS . 7.2 p -103.03 146.81 10.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -86.88 113.34 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -116.85 163.95 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 8.8 mptt -73.98 149.31 87.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.89 17.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -83.69 -43.8 15.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.63 137.05 58.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.575 HD12 ' HB3' ' A' ' 27' ' ' LYS . 2.2 pp -80.48 -30.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB3' HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -127.21 175.02 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 179.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -80.54 169.68 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.17 -32.83 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.445 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . . . -76.93 -62.73 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.504 ' SG ' HG22 ' A' ' 33' ' ' THR . 29.8 p -94.37 1.94 55.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 31' ' ' CYS . 9.0 pt-20 45.87 31.98 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.504 HG22 ' SG ' ' A' ' 31' ' ' CYS . 10.5 t -79.93 140.79 54.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.84 15.15 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' A' ' 12' ' ' TRP . 36.6 tttp -69.32 139.36 89.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.2 Cg_endo -69.75 93.32 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.298 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.81 141.32 38.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.1 t -108.6 147.33 31.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.322 . . . . 0.0 111.133 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 t -65.46 -62.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.0 t -80.06 133.05 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -60.17 172.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -63.02 -51.87 65.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.0 152.06 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' THR . 9.3 mp -65.09 -34.65 78.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' LEU . 90.4 m -33.94 -45.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 46' ' ' LEU . 1.4 pp -79.4 138.06 37.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -67.32 118.39 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 0.0 110.858 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t -63.58 -46.32 86.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.71 88.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -95.72 -54.45 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -40.97 -44.71 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.21 137.46 14.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -55.76 138.08 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.3 mt -101.9 121.22 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.79 -77.46 1.04 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.434 HG22 ' HA ' ' A' ' 22' ' ' LYS . 24.3 p -64.85 145.99 55.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.437 ' CD2' ' HD2' ' A' ' 35' ' ' LYS . 6.5 p-90 -112.79 135.72 53.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -83.96 129.8 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.8 t -72.03 169.06 16.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -113.54 -37.65 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.0 m -76.4 -65.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.8 p -83.72 -23.76 31.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 14' ' ' CYS . 46.9 mt 62.18 48.01 5.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 97.2 t -119.71 136.19 57.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.93 144.38 53.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 28.0 m-80 -142.77 148.66 37.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.485 ' HE3' ' N ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -62.01 153.54 73.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 110.9 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -33.52 16.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.18 -40.02 86.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.04 118.51 7.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.069 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 27' ' ' LYS . 2.7 pp -70.77 -24.4 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HB3' HD12 ' A' ' 26' ' ' ILE . 19.9 pttp -125.69 174.48 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.498 ' HB2' HG22 ' A' ' 33' ' ' THR . 2.8 t -74.42 173.15 10.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.96 -29.3 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.51 -56.51 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -92.3 -18.14 23.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 61.66 46.0 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.498 HG22 ' HB2' ' A' ' 28' ' ' CYS . 6.6 t -97.31 140.69 22.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.646 0.736 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 123.18 9.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 29.4 tttp -57.5 138.69 81.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 35' ' ' LYS . 53.7 Cg_endo -69.81 -40.76 4.87 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.4 134.92 2.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.0 p -38.59 -52.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 0.0 111.148 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.3 p -55.1 177.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' LYS . 89.4 t -70.36 145.06 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' VAL . 17.1 mtpt -37.67 -59.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -132.34 170.56 14.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' ARG . . . -35.52 -66.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.435 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 20.2 tp 66.56 45.61 2.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.485 ' C ' HD22 ' A' ' 46' ' ' LEU . 18.8 m -103.38 118.53 36.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.485 HD22 ' C ' ' A' ' 45' ' ' THR . 4.0 mm? -115.72 157.55 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' LEU . 8.9 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_