data_6t33_residue ############################ # Computer software used # ############################ 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 6t33 _Structure_validation_residue.Date_analyzed 2020-08-07 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 ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m95 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.803 0.335 . . . . 73.45 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.9 99.56 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.744 . . . . 54.23 112.509 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.459 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -141.13 119.81 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 75.34 110.882 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 p -122.46 150.15 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.22 111.095 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 60.0 m -139.51 144.72 38.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.3 110.915 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -93.56 57.03 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 50.43 110.852 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.51 -90.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.767 . . . . 65.43 112.459 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.11 174.87 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 73.21 110.874 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.77 -38.43 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 75.14 111.138 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.46 -38.68 66.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 63.52 111.076 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.7 p -82.57 -30.35 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.45 111.117 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.77 79.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 75.34 111.153 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -78.95 -26.27 43.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 73.3 110.878 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 t -52.24 -35.83 50.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 62.23 110.857 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.48 -62.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.45 110.846 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.459 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.88 -169.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.891 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.39 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 72.51 111.083 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.77 165.72 11.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 71.4 112.478 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -19.46 36.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 74.53 112.331 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.91 -25.52 18.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 72.14 111.106 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -104.51 153.44 21.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.939 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.8 m -124.15 123.17 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 73.22 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -125.79 139.75 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 72.42 111.105 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.33 96.92 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 41.12 112.453 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -72.5 114.59 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 71.13 110.961 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.9 m -118.17 173.47 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.863 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.55 -131.85 2.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 64.24 112.457 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -108.11 43.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 74.35 110.892 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -97.81 -32.11 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 73.3 110.925 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.66 153.42 6.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.737 . . . . 72.22 112.494 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.88 -39.21 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 75.31 111.095 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.1 t -55.36 -51.15 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 70.14 111.115 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -48.08 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.2 111.129 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -30.16 23.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.865 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -82.33 -45.62 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.35 -41.53 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 72.22 111.1 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -57.33 -60.5 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.946 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.57 -25.35 52.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.098 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -70.4 -31.92 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.89 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -77.85 -30.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.104 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.89 -51.58 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 72.11 111.098 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -32.4 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.871 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.9 m -85.72 -34.77 21.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 70.3 111.103 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 62.24 111.086 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.77 0.319 . . . . 74.51 110.941 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.35 91.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 71.23 112.49 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.454 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.05 118.24 12.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 61.5 110.903 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.12 149.23 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.25 111.11 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.5 m -137.94 138.73 39.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.34 110.864 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -83.07 69.68 9.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.884 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.32 -94.22 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 71.03 112.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.53 176.4 6.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.944 0.402 . . . . 71.54 110.842 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.8 m -78.1 -37.87 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 74.42 111.149 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.53 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.42 111.105 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.74 -29.13 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 75.4 111.135 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.47 74.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.51 111.11 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -75.0 -27.6 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.916 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.49 -37.28 56.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.886 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.41 -60.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.855 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.454 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.84 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 73.41 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.04 -66.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 74.41 111.109 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.23 166.13 15.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 72.12 112.479 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -16.84 37.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 75.43 112.333 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.39 -25.4 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 64.11 111.066 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -104.05 136.53 43.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 75.1 110.907 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -107.98 136.12 48.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 74.24 110.858 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -139.62 119.12 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.1 111.125 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.53 98.1 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.712 -0.756 . . . . 64.2 112.504 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.33 112.88 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.932 0.396 . . . . 75.55 110.915 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.4 m -126.71 119.98 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 65.21 110.892 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.32 130.9 3.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 51.21 112.5 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 61.18 39.55 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 74.04 110.927 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -136.62 -57.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.888 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.54 -170.28 24.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 72.12 112.5 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.25 -43.93 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 74.5 111.07 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.05 -55.43 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.31 111.11 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -45.66 80.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.15 111.146 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -52.02 -30.1 23.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 70.2 110.88 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -82.97 -44.33 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.909 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.89 -45.22 67.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 72.13 111.112 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.17 -51.79 62.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.855 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.41 -25.98 60.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 75.02 111.096 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -70.82 -32.86 70.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.925 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.0 t -77.43 -35.71 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 72.45 111.11 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.51 -51.91 8.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 65.04 111.132 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -30.04 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 m -88.92 -37.4 15.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 75.14 111.183 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.55 111.081 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 39.3 m95 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.81 0.338 . . . . 71.24 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.8 88.2 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 64.21 112.511 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.428 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -136.18 114.45 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 72.45 110.885 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.44 149.82 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 75.41 111.133 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.0 m -137.41 147.93 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -91.29 58.21 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.838 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.08 -97.46 0.11 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 72.15 112.521 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -118.26 173.9 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.963 0.411 . . . . 74.01 110.859 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -78.34 -34.15 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 74.11 111.146 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.45 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.133 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -81.96 -28.59 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.138 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -48.62 79.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 73.34 111.104 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -80.35 -28.35 38.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 54.14 110.932 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t -53.6 -29.55 38.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 72.14 110.901 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.88 -61.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 75.35 110.835 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.428 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.2 t-20 51.82 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.902 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.82 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.14 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.13 170.64 35.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 64.41 112.455 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -28.61 24.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 73.32 112.314 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.68 24.01 12.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 72.33 111.121 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -120.71 140.07 52.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.93 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.1 m -113.71 117.49 31.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 72.41 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.4 t -130.05 115.25 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 70.2 111.14 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.98 106.77 1.98 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 71.04 112.513 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -80.46 114.1 19.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.976 0.417 . . . . 71.0 110.938 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.9 m -116.88 127.27 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 72.14 110.887 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.69 -134.33 2.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 64.4 112.524 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -106.03 40.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 75.54 110.845 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -89.3 -43.52 10.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.908 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.27 172.77 24.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.737 . . . . 72.34 112.479 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.38 -38.02 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 73.11 111.087 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -53.26 -52.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.12 111.173 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -45.73 75.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 61.33 111.167 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.05 -30.09 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.873 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -82.63 -43.19 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.58 -42.06 78.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 74.1 111.102 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -62.47 -60.07 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 71.22 110.866 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.84 -25.29 55.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.097 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -71.02 -33.1 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.909 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.9 -30.02 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.54 111.093 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.34 -51.49 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 60.31 111.087 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -30.02 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 75.11 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.6 p -80.35 -35.36 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 75.33 111.145 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.41 111.114 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.7 m95 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.813 0.34 . . . . 75.44 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.78 88.34 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 74.03 112.463 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.446 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -147.97 114.76 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 73.34 110.876 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.8 p -117.59 150.26 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 70.4 111.165 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 m -140.0 143.51 36.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.913 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 t -88.53 64.55 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.86 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.59 -94.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 75.32 112.51 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.82 174.82 6.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.009 0.433 . . . . 72.34 110.806 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -38.18 42.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 72.23 111.135 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.4 -37.68 67.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.12 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -82.09 -29.58 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 73.1 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.97 -47.0 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.4 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -80.33 -27.86 38.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.2 t -52.85 -34.2 53.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.846 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.91 -62.16 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.861 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.446 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.77 -169.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.895 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.2 -53.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 71.54 111.102 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.13 167.61 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.492 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -32.44 18.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 63.13 112.389 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.21 24.07 6.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.101 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -138.46 140.38 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 65.21 110.956 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.4 m -115.14 119.86 37.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.906 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.2 t -129.51 134.18 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.24 111.124 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.42 107.17 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 62.24 112.511 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -78.22 125.27 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.406 . . . . 74.1 110.878 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.4 m -129.04 153.55 47.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 73.31 110.903 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -111.29 -128.41 5.27 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 64.52 112.484 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.93 35.57 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 73.14 110.843 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -86.61 -38.52 17.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 70.51 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.93 159.7 9.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 74.53 112.471 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.8 t -56.26 -39.17 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 75.04 111.112 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -52.7 -54.64 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.132 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -52.74 -48.16 66.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 72.3 111.145 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -30.06 23.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 75.45 110.877 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -82.59 -42.5 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 72.54 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.71 -45.71 74.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 64.35 111.106 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -57.68 -58.55 7.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.911 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.21 -25.82 59.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 63.4 111.1 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -70.18 -30.62 67.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.898 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.0 t -77.89 -31.76 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 52.14 111.116 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.16 -51.22 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.5 111.084 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -27.15 46.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 75.14 110.904 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.5 m -90.75 -25.6 19.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.21 111.125 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 70.43 111.121 179.847 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.854 0.359 . . . . 75.32 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.32 92.88 0.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 73.43 112.484 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.445 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -135.2 114.75 12.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 64.33 110.862 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -120.28 148.29 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 61.41 111.137 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 m -138.92 144.34 39.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 65.34 110.86 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -91.1 56.18 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.0 -98.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 70.03 112.488 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.7 t -118.03 175.89 5.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 52.2 110.904 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.68 -34.24 46.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 73.24 111.123 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.4 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 61.44 111.094 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -81.93 -30.01 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.137 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.22 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.25 111.077 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -80.85 -26.59 36.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.83 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 t -52.66 -43.74 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.901 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.49 -60.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.44 110.814 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.445 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER 51.84 -169.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 75.03 110.891 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.43 -51.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 65.41 111.12 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.35 171.08 12.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 64.42 112.517 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -28.04 26.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 71.24 112.361 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.45 24.04 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 71.03 111.112 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -150.9 153.7 35.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.895 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.2 m -129.75 130.11 44.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 71.4 110.862 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -133.01 133.65 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.127 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.51 103.27 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 72.33 112.464 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -72.72 106.11 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 75.4 110.909 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -167.9 73.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.13 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.17 31.0 3.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 74.12 112.523 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -145.2 33.57 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 75.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -152.15 -61.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.54 175.27 47.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 64.2 112.497 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -71.68 -34.96 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 75.13 111.123 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.18 -56.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 70.41 111.158 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -45.13 78.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 61.33 111.142 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -30.09 23.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.85 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -82.65 -43.13 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 73.35 110.89 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.22 88.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.55 111.099 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.58 -58.75 5.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.911 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.5 39.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.33 111.121 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -71.09 -33.57 70.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.903 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.87 -30.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 75.03 111.119 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.72 -51.45 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.3 111.097 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -52.43 -31.32 33.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 74.53 110.849 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 p -79.24 -38.07 36.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 74.42 111.136 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.4 111.089 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 19.8 m95 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.813 0.34 . . . . 74.45 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.59 91.5 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 55.31 112.466 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.442 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.87 115.22 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 74.34 110.85 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -119.71 149.94 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 71.44 111.116 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.5 m -140.3 145.7 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 62.23 110.878 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -85.95 53.72 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.857 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.61 -108.24 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 71.23 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.62 176.22 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.948 0.404 . . . . 71.13 110.834 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 m -78.74 -28.96 44.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.158 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.3 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 74.42 111.07 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -83.74 -30.64 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.104 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.71 -48.23 81.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 71.2 111.107 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -77.63 -26.25 50.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.92 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.0 t -52.76 -30.24 31.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 75.11 110.866 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -98.28 -62.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.852 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.442 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.81 -169.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.15 110.906 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.71 -40.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.085 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.29 166.52 21.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 74.22 112.5 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -41.12 4.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.257 . . . . 75.11 112.339 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.14 24.07 12.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 72.52 111.087 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -115.15 152.58 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.865 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.5 m -123.94 124.15 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 75.35 110.918 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.6 t -142.07 145.96 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 65.24 111.145 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.35 117.94 2.53 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.699 -0.762 . . . . 64.12 112.468 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -104.65 112.38 25.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.381 . . . . 70.51 110.949 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 m -113.59 140.18 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.907 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.85 130.48 3.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 72.34 112.459 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 62.88 26.41 15.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 72.44 110.902 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -120.98 -66.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 75.32 110.91 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.04 -161.59 29.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.475 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -86.48 -39.46 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 75.32 111.087 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.5 t -53.36 -63.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.14 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -40.37 81.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 71.32 111.155 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -30.12 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 71.22 110.862 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -82.93 -48.86 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 73.41 110.887 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.79 -35.39 43.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.5 111.101 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -52.01 -50.38 61.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.874 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.55 -25.28 59.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.24 111.073 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -70.51 -32.3 69.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 73.34 110.888 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.9 t -77.48 -30.55 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.5 111.122 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.31 -50.92 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.34 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -30.17 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.1 p -81.42 -37.01 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.123 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 71.13 111.098 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.785 0.326 . . . . 74.03 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.96 91.14 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 73.24 112.489 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.451 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -153.1 121.09 6.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 72.34 110.884 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.2 p -119.56 149.96 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.44 111.091 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.7 m -141.23 146.85 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.828 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 p -94.15 59.92 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.862 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.4 -87.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 71.41 112.475 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -131.65 174.27 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 74.1 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 m -76.17 -40.96 51.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 73.21 111.169 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.0 -40.05 60.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 63.44 111.099 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.27 -30.09 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.142 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.86 79.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 54.41 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -78.94 -27.19 43.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.917 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.0 t -52.59 -33.45 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.01 110.895 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.1 -62.26 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 72.41 110.842 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.451 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.8 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.895 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.42 -53.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.135 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.64 169.16 23.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 62.23 112.495 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -29.38 23.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 75.0 112.312 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.13 23.96 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.072 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -124.87 136.98 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.936 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.2 m -110.8 115.11 28.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 71.24 110.917 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.33 135.52 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.32 111.117 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.1 119.19 2.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 72.04 112.485 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -71.77 120.32 17.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.938 0.399 . . . . 75.13 110.911 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 83.1 m -145.42 142.93 29.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 75.15 110.872 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.82 134.05 1.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 65.42 112.5 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.5 t30 60.41 27.04 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 71.43 110.889 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -127.96 -55.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.5 -168.68 31.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.736 . . . . 51.35 112.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.47 -43.13 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 72.51 111.13 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.1 t -52.29 -56.63 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.12 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -47.36 73.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 63.13 111.093 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -30.07 24.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 72.13 110.863 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -82.75 -46.33 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 60.15 110.921 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.11 -42.05 62.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 75.22 111.099 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -62.92 -59.64 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 75.31 110.921 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.61 -25.6 53.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.13 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -70.71 -32.44 69.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.877 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.85 -29.68 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 72.12 111.141 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.84 -51.89 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.02 111.118 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -52.46 -31.57 35.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 75.03 110.866 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 83.4 m -86.22 -33.07 20.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 75.31 111.169 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 62.41 111.111 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 75.31 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.73 104.97 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 73.2 112.487 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.453 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -143.97 118.8 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 65.44 110.928 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -121.65 148.23 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.35 111.122 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 m -138.45 140.97 39.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -85.26 54.63 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.05 110.809 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.51 -106.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 74.1 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.1 175.62 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 73.32 110.836 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -78.72 -27.42 44.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 72.24 111.154 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.29 79.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.089 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.02 -28.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 75.3 111.146 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.34 -47.78 82.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 74.25 111.107 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -78.5 -26.24 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 65.23 110.876 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.9 t -52.77 -41.57 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.862 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -90.69 -61.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 74.52 110.837 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.453 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 t-20 51.78 -169.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 70.31 110.867 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.85 -62.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.068 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.62 166.89 12.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 51.21 112.489 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -21.88 33.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 74.42 112.339 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.82 24.03 11.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.14 111.065 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -149.19 171.26 16.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.93 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.4 m -143.32 132.98 23.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 74.33 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.0 t -136.8 139.44 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 73.31 111.081 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.39 100.86 0.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 61.34 112.497 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -74.03 115.34 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 74.34 110.906 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 p -173.53 55.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 61.14 110.871 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.44 48.94 0.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 61.24 112.483 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -166.69 31.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 74.4 110.9 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -145.68 -51.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.62 -168.96 41.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 74.35 112.453 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.5 t -83.63 -42.62 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 51.22 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -54.09 -53.36 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 63.14 111.126 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -48.09 76.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 64.23 111.112 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -52.06 -30.07 24.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 75.51 110.86 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.87 -42.84 17.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.893 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.3 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.109 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -65.79 -56.03 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.89 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.53 39.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.097 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -71.05 -33.42 70.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.57 -29.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 64.1 111.111 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.31 -51.88 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 70.42 111.135 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -52.52 -32.04 38.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.891 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.2 m -86.89 -32.67 20.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 73.12 111.164 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.33 111.098 179.863 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.871 0.367 . . . . 74.22 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.17 92.56 0.65 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 52.32 112.483 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.432 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -153.43 114.89 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 73.33 110.912 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.5 p -119.17 149.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 74.55 111.104 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.6 m -139.94 145.54 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 54.55 110.897 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -88.32 72.97 8.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 65.33 110.862 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.31 -88.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 64.21 112.53 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -130.81 172.69 11.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.995 0.426 . . . . 73.12 110.828 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -77.22 -33.43 56.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 74.24 111.099 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.35 76.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 70.21 111.105 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.99 -28.97 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.34 111.109 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.85 81.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 62.24 111.113 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -78.39 -27.02 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.918 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -52.13 -30.6 27.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 52.12 110.831 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.82 -60.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.42 110.88 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.432 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.5 t-20 51.8 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 71.3 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.0 -54.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 70.43 111.093 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.75 167.97 16.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.77 . . . . 71.12 112.477 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -29.08 24.47 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.617 2.211 . . . . 70.14 112.381 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.15 24.03 10.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 63.1 111.105 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -136.49 142.28 43.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.922 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.8 m -116.85 119.11 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.871 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.1 t -129.52 117.88 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.099 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.85 104.92 1.82 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 74.2 112.461 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.84 115.39 10.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.936 0.398 . . . . 74.24 110.961 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.4 m -126.74 117.27 22.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.14 -134.76 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 54.42 112.519 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -101.24 36.38 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 62.42 110.86 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -85.69 -31.27 22.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.862 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.58 -163.36 29.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.9 t -94.22 -35.5 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 70.33 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.22 -51.35 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 74.24 111.079 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -45.73 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.34 111.088 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.04 -30.05 23.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.892 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -82.26 -48.16 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 63.12 110.872 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.43 -48.31 68.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 70.22 111.08 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -53.48 -58.03 8.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 64.5 110.878 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.51 -25.66 52.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 73.02 111.087 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -70.75 -32.78 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.906 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.9 -29.95 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 72.22 111.103 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.51 -51.46 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 74.41 111.123 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -32.1 39.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.13 110.877 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 m -88.54 -30.43 19.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 65.11 111.116 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.092 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.3 m95 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.828 0.347 . . . . 74.01 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.74 90.63 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 70.03 112.483 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.46 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -144.29 115.01 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 73.02 110.885 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.2 p -123.28 148.72 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 64.21 111.107 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.4 m -137.33 142.86 41.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.911 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -85.61 74.01 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.842 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.45 -92.09 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 72.1 112.471 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.77 177.38 6.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 70.0 110.882 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 m -78.74 -38.91 37.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 75.4 111.144 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.4 -37.2 62.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 51.35 111.099 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.17 -29.4 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 71.2 111.09 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.13 67.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 64.34 111.129 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -73.42 -26.38 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.4 110.901 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -41.72 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.898 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -91.5 -61.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 74.33 110.832 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.46 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.78 -169.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 74.44 110.854 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.54 -66.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 54.13 111.087 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.05 179.11 39.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.682 -0.77 . . . . 64.34 112.46 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -37.7 8.79 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.712 2.275 . . . . 74.01 112.354 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.1 24.02 13.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 74.35 111.11 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -125.64 134.19 51.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.912 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.5 m -111.87 134.15 53.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 73.4 110.911 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.5 t -143.44 117.88 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 71.15 111.096 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.44 114.08 4.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 55.51 112.492 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -75.13 106.43 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 75.05 110.941 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 83.5 m -121.9 106.55 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 60.34 110.874 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.68 -128.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.706 -0.759 . . . . 63.01 112.474 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -96.36 26.45 4.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 74.34 110.916 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -75.24 -34.16 61.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.871 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.65 -161.84 22.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 62.23 112.476 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -85.4 -28.19 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 73.52 111.152 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.1 t -55.24 -66.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 64.35 111.139 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -38.52 74.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.152 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -52.0 -30.15 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.826 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -82.7 -49.07 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.879 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.75 -40.99 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 75.2 111.13 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -63.79 -58.04 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.95 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.19 -25.43 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 65.52 111.085 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -71.14 -33.59 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 70.44 110.905 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.2 t -77.97 -29.92 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 75.1 111.111 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.17 -51.38 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.11 111.089 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -52.13 -31.82 32.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.53 110.86 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -86.14 -40.74 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.184 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 73.12 111.076 179.856 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.807 0.337 . . . . 74.41 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.23 99.26 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 64.33 112.464 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.43 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -149.53 114.48 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 73.34 110.855 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.5 148.27 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 73.22 111.127 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 m -136.19 148.07 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 64.31 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -87.08 68.99 10.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.901 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.02 -91.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 72.1 112.483 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -128.25 176.82 7.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 71.33 110.843 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -39.98 34.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 73.34 111.15 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.69 -37.09 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.24 111.101 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.01 -29.62 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.101 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.81 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.41 111.144 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.21 -26.44 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 72.52 110.896 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -52.25 -34.15 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.874 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.38 -61.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 63.24 110.823 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.43 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.78 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 61.0 110.901 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.74 -63.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 63.34 111.092 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.84 174.67 40.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.04 112.459 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -35.5 12.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 71.33 112.323 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.58 24.03 13.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.25 111.091 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -120.51 158.24 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 73.35 110.891 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 82.3 m -133.96 134.64 42.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 72.34 110.844 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.22 119.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.2 111.127 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.35 102.59 1.84 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 73.14 112.477 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -91.35 110.76 22.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.909 0.385 . . . . 75.32 110.963 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.0 p -167.26 118.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 70.33 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.71 34.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 70.53 112.498 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -138.41 28.99 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 64.23 110.866 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -149.05 -65.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 72.2 110.861 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.58 176.68 44.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 72.35 112.462 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.45 -37.79 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 64.42 111.158 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.75 -51.81 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 70.33 111.173 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -49.21 76.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 65.25 111.168 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -30.11 24.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.816 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -82.86 -51.79 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.853 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.15 -32.51 36.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.082 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.65 -54.18 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.07 -25.23 44.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 72.42 111.062 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -71.59 -34.57 70.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.85 -29.52 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.54 111.159 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.1 -51.81 6.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.25 111.114 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -52.38 -32.03 36.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 73.02 110.87 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.8 p -81.73 -34.3 30.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 74.11 111.141 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.41 111.077 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 22.3 p-90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.866 0.365 . . . . 73.35 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.5 90.32 0.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 73.2 112.487 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.452 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -144.11 115.33 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.01 110.911 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.53 149.38 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 65.11 111.152 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 56.3 m -137.57 145.78 43.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -92.88 54.91 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.815 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.69 -93.59 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 62.43 112.466 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 m -125.35 176.11 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 72.51 110.849 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -40.1 51.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 73.32 111.173 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.34 -39.42 60.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.13 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.5 -30.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 73.42 111.145 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.25 81.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 61.41 111.136 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -80.73 -26.72 37.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 t -53.12 -38.44 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 65.25 110.872 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.11 -62.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.855 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.452 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.82 -169.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.915 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.25 -63.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 53.23 111.112 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.34 170.41 36.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 73.13 112.471 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -32.55 18.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.22 . . . . 72.24 112.354 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.65 24.06 13.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.104 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -120.97 134.15 55.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.871 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -105.65 115.82 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 64.55 110.825 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -132.13 118.52 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.15 111.163 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.1 111.92 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 75.34 112.526 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -78.77 114.05 17.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 73.2 110.899 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.0 m -123.53 116.2 22.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.36 -123.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 52.45 112.502 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -120.62 55.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 74.41 110.881 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -106.53 -31.22 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 44.12 110.878 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.78 176.18 25.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 63.41 112.51 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.24 -35.87 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 73.21 111.121 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.29 -54.06 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.5 111.145 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.72 -46.16 74.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 65.55 111.171 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -30.07 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 71.2 110.888 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -82.34 -44.81 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 54.13 110.836 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.17 -39.31 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.08 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -64.92 -60.72 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.865 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.95 -26.35 47.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 71.24 111.092 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -69.87 -30.5 67.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 70.3 110.901 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.03 -33.49 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.44 111.116 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.28 -51.9 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.072 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -29.6 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 72.45 110.878 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.9 m -86.38 -37.76 18.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 63.24 111.143 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.43 111.11 179.849 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.783 0.325 . . . . 74.54 110.94 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.76 88.89 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 65.13 112.489 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.45 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -146.1 115.53 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 75.41 110.881 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 p -121.62 149.87 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 70.51 111.114 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.3 m -138.31 148.08 44.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 61.51 110.874 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -91.41 51.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 71.12 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.42 -106.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 73.03 112.456 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -108.97 174.5 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 74.13 110.873 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.8 m -78.74 -28.28 44.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 72.23 111.158 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.17 77.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.123 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.51 -29.59 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.134 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 71.34 111.139 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -78.58 -26.57 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 70.3 110.885 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -53.9 -30.18 45.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -62.83 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.864 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.45 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER 51.88 -169.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.896 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.93 -48.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.087 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.25 174.69 28.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 74.34 112.464 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -41.72 4.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 74.21 112.36 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.81 24.03 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 70.44 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -118.17 137.92 52.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.914 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.0 m -113.55 123.69 50.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 72.45 110.881 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.1 t -137.22 114.75 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 75.53 111.097 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.97 117.73 5.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 64.44 112.469 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.67 107.79 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.912 0.387 . . . . 73.51 110.93 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.6 m -122.16 106.58 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 64.53 110.859 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.78 -144.71 0.29 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 74.12 112.498 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -94.86 51.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 55.2 110.885 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -99.33 -63.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.86 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.67 -161.99 25.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 65.11 112.503 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.4 t -93.33 -39.43 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 75.21 111.108 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.8 t -53.71 -51.12 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 64.01 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -46.94 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.162 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -30.13 23.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.85 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -83.0 -41.05 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.893 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.59 -48.26 77.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 62.4 111.115 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -60.24 -57.96 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 70.53 110.901 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.97 -25.22 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.066 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -71.16 -33.39 69.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 73.24 110.859 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.29 -30.18 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.51 111.136 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.38 -51.87 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 63.12 111.108 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -31.23 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.907 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.3 m -86.01 -35.54 20.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.13 111.12 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 75.22 111.096 179.907 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.777 0.322 . . . . 71.32 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.75 101.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 74.24 112.493 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.459 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -143.11 116.33 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 43.5 110.898 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -124.0 148.91 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.083 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.2 m -137.35 143.6 42.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.52 110.897 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -89.41 60.37 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 62.44 110.856 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.75 -95.22 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.712 -0.756 . . . . 63.44 112.454 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.08 173.91 6.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.977 0.418 . . . . 75.3 110.829 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 p -78.45 -33.66 48.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 75.21 111.14 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.27 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 75.32 111.074 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -81.55 -29.18 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 72.31 111.09 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.17 83.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.11 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -79.98 -26.54 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 t -52.24 -37.58 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.837 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.97 -61.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.825 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.459 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.8 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.897 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.05 -66.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.102 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.69 171.28 30.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 62.44 112.507 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -26.17 27.84 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 64.32 112.304 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.46 24.06 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.11 111.108 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -134.77 135.95 42.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.898 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.9 m -112.39 119.68 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.7 t -129.54 135.52 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.4 111.104 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.2 110.85 0.94 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 41.53 112.524 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -72.86 115.89 12.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.934 0.397 . . . . 72.23 110.92 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.6 m -117.26 -55.42 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 74.32 110.896 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.99 -144.21 17.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 62.33 112.496 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -99.05 31.89 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 75.5 110.902 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -81.2 -48.57 11.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 165.63 -172.67 41.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 54.35 112.508 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.57 -45.16 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 73.01 111.136 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -52.2 -53.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 65.1 111.116 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -47.75 71.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 70.14 111.119 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -52.01 -30.12 23.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 74.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -82.98 -44.15 15.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.896 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.98 -46.38 64.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.42 111.12 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -65.06 -54.88 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.903 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.85 38.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 73.43 111.091 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.07 -31.14 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.902 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.6 t -77.73 -34.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.53 111.133 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.15 -51.04 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.11 111.078 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -28.98 26.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 70.44 110.902 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.1 m -83.72 -36.54 23.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 75.11 111.158 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.03 111.091 179.858 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.0 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.784 0.326 . . . . 74.32 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.69 99.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 64.41 112.48 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.452 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -146.79 114.27 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 73.4 110.892 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 p -122.76 148.94 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 75.12 111.134 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.7 m -136.07 146.6 47.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -94.32 64.81 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 55.54 110.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.21 -90.33 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.771 -0.728 . . . . 63.01 112.487 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.91 172.11 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.972 0.415 . . . . 72.13 110.848 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.63 -31.35 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 75.15 111.115 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.53 83.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.4 111.113 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.76 -29.71 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.178 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -47.54 85.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 74.43 111.094 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -80.26 -26.57 38.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 72.14 110.927 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 t -52.24 -41.96 63.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 44.41 110.811 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.42 -62.21 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.822 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.452 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.82 -169.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 73.43 110.868 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.14 -62.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.105 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.71 173.87 27.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 71.12 112.46 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.65 16.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 65.13 112.335 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.67 24.03 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 65.32 111.084 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -134.44 136.28 43.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 75.14 110.969 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.8 m -113.39 128.72 56.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 53.2 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -140.45 135.68 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.117 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.05 111.38 1.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 70.22 112.485 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -80.87 106.04 12.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.387 . . . . 75.22 110.919 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.7 m -100.93 -41.41 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 72.02 110.875 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.26 -113.88 3.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 72.52 112.437 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -131.98 96.81 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 73.34 110.866 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -153.27 -59.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 70.12 110.855 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.01 172.07 42.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 74.23 112.511 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.99 -40.99 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 75.24 111.114 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.29 -52.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 72.2 111.154 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -48.15 76.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 73.01 111.163 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -31.13 28.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 73.22 110.916 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -82.93 -43.85 16.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.918 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.13 63.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.5 111.113 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -65.81 -55.79 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 71.03 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.11 -25.41 45.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 61.21 111.148 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -70.89 -32.91 70.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.6 t -77.94 -31.65 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.079 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.83 -50.87 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.13 111.137 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -31.17 27.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.941 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.1 m -81.43 -36.56 29.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 65.11 111.145 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 75.4 111.089 179.886 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.85 0.357 . . . . 75.22 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.58 98.71 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 72.21 112.5 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.458 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.51 114.76 8.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 64.25 110.889 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.1 p -120.03 148.34 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.099 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 m -138.87 145.3 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 75.31 110.896 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -89.24 68.88 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.81 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.92 -79.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 73.21 112.472 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.83 174.35 10.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 73.02 110.887 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.9 m -75.43 -38.83 59.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 70.41 111.13 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.77 -40.44 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 73.41 111.118 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.4 -28.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 65.11 111.185 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.87 86.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.42 111.124 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -79.1 -27.03 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -52.23 -39.85 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -90.52 -60.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 72.43 110.858 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.458 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.8 -169.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.896 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.93 -57.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.13 111.14 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.93 170.15 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 73.14 112.458 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -24.23 29.93 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 71.44 112.348 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.19 24.07 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 75.21 111.133 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -138.46 134.92 34.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.875 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.7 m -110.89 130.82 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 74.02 110.896 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.9 t -139.24 138.45 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 75.24 111.09 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.32 110.39 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 74.23 112.485 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -87.78 106.33 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.909 0.385 . . . . 75.33 110.931 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.0 p -154.98 120.12 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.886 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.86 165.1 30.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 52.31 112.471 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.21 26.55 16.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 72.24 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -132.12 -72.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.843 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.67 160.04 25.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 72.3 112.53 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.1 t -57.53 -40.45 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 63.22 111.12 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.94 -52.23 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.104 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -48.89 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 70.14 111.138 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -31.34 29.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.847 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -83.0 -42.46 17.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.891 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.79 -50.42 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.45 111.097 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -55.47 -55.53 30.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.891 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.86 -25.6 43.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.32 111.104 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -32.32 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.43 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -77.78 -33.8 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 72.12 111.114 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.32 -51.08 8.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 72.33 111.08 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -31.02 28.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.914 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.0 m -86.92 -36.1 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 62.14 111.165 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.071 179.871 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.339 . . . . 75.11 110.952 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.46 95.86 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 73.12 112.468 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.439 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -136.35 115.04 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 71.22 110.901 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -118.96 150.61 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 74.12 111.116 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 56.2 m -138.44 149.84 45.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 72.42 110.83 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -95.68 54.81 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.889 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.26 -100.62 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 64.23 112.475 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.16 172.37 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 74.21 110.882 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -30.12 48.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 75.44 111.129 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -35.01 79.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 61.41 111.068 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -82.99 -28.71 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 74.44 111.1 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.95 83.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.101 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -79.55 -26.86 41.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 63.3 110.852 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -52.63 -30.59 32.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 62.25 110.877 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.99 -62.28 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 73.34 110.854 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.439 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.88 -169.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.862 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.47 -65.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.05 111.106 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.87 172.9 31.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 42.44 112.448 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -38.88 7.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 75.21 112.351 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.79 24.05 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 74.44 111.123 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -131.27 137.1 48.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.892 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.3 m -115.05 114.7 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 64.33 110.908 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -122.51 138.81 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.51 111.14 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.71 107.79 0.78 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.759 . . . . 62.41 112.457 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.89 113.41 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 74.34 110.929 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.5 m -121.9 102.44 8.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 65.52 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.66 -142.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 72.42 112.527 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -86.65 55.05 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 74.4 110.877 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -104.56 -59.72 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 65.43 110.906 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.31 -175.14 36.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 72.45 112.461 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.8 t -69.71 -38.71 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 70.31 111.115 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -53.29 -55.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 75.15 111.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -45.83 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.01 111.171 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -52.01 -31.69 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.869 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.04 -44.76 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.92 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.43 -40.7 71.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 70.24 111.111 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.3 -57.89 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 63.34 110.91 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.32 -25.28 48.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.093 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -70.53 -32.13 69.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 71.34 110.928 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.6 t -77.8 -30.19 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 74.22 111.143 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.35 -51.84 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.52 111.078 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -52.69 -29.66 27.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.3 m -91.54 -25.31 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.42 111.174 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 75.04 111.087 179.841 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.824 0.345 . . . . 72.12 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.96 104.02 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.688 -0.767 . . . . 75.45 112.437 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.458 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -139.54 116.01 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.37 . . . . 72.01 110.874 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.4 p -113.42 148.57 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.31 111.149 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.2 m -139.15 150.08 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 63.12 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -91.08 57.16 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 71.15 110.822 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.74 -96.62 0.1 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 60.23 112.481 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.07 176.11 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 71.04 110.873 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.68 -38.22 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 74.34 111.122 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.68 -36.94 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 53.21 111.097 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -82.54 -30.15 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 70.31 111.105 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.81 80.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.101 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -78.22 -26.89 47.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 70.21 110.876 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.7 t -52.93 -29.65 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.823 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.22 -62.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.848 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.458 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.7 t-20 51.84 -169.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.894 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.69 -63.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.22 111.076 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.59 177.62 28.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 71.44 112.494 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -32.84 17.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 72.54 112.33 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.97 24.05 12.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.24 111.133 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -136.75 155.67 49.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.926 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.4 m -136.18 135.4 39.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.22 110.867 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.7 t -135.67 132.56 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 75.42 111.158 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.94 104.32 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 74.33 112.48 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -52.5 110.85 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.901 0.381 . . . . 74.34 110.932 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.7 m -134.78 97.56 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 70.42 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.96 -117.12 0.47 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 74.53 112.477 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -112.97 45.89 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 72.22 110.899 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -96.47 -33.41 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.84 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.61 153.4 5.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 74.14 112.516 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -52.2 -40.93 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.359 . . . . 75.14 111.102 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.6 t -52.02 -51.57 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.109 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -47.27 76.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 65.51 111.109 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -52.01 -31.79 31.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -82.99 -43.32 16.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.903 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.52 -46.03 77.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.15 111.088 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.28 -56.23 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.94 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.79 -25.59 42.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.45 111.082 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -71.28 -33.79 70.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.862 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t -77.93 -29.95 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 75.42 111.109 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.92 -51.91 6.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.102 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.5 -30.99 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 65.42 110.906 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.9 p -86.48 -38.18 17.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.12 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 54.13 111.097 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.81 0.338 . . . . 75.45 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.6 88.9 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 75.3 112.483 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.458 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -151.1 118.37 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 73.43 110.895 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.9 p -119.58 148.33 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 62.21 111.133 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 m -138.45 147.43 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.855 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 t -88.2 63.84 7.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 64.24 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.68 -81.7 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 73.34 112.465 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.17 177.81 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.398 . . . . 74.25 110.885 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -39.68 35.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.22 111.139 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.69 62.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.24 111.094 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.74 -28.82 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 72.24 111.132 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.21 86.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 41.22 111.128 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -78.93 -26.17 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.924 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -52.88 -31.27 38.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.876 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.48 -61.44 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.458 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.6 t-20 51.83 -169.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.97 -56.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.13 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.2 172.5 23.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 53.31 112.509 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -39.22 6.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.273 . . . . 71.34 112.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.88 24.06 6.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 63.51 111.076 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -131.06 164.75 24.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 74.03 110.901 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.5 m -141.9 127.23 18.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.909 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.3 t -133.96 132.15 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 73.21 111.173 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.16 113.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 63.13 112.467 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -69.51 126.02 28.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.951 0.405 . . . . 62.33 110.904 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.9 m -138.62 102.12 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 71.11 110.862 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.83 -131.25 0.34 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 75.4 112.522 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -95.77 48.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 74.02 110.909 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -99.74 -38.04 8.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 72.01 110.862 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.1 168.41 11.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 60.34 112.482 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.15 -31.53 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.23 111.104 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.09 -56.34 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 74.55 111.084 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -53.62 -45.01 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 73.42 111.147 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -32.62 35.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.826 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -82.97 -45.37 14.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.929 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.35 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 71.42 111.123 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -63.65 -54.85 29.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.16 -25.69 47.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.094 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -70.7 -32.33 69.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.938 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.5 t -77.61 -32.68 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 73.33 111.127 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.52 -51.63 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.111 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -29.75 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 74.33 110.877 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -87.01 -39.6 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 73.21 111.123 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 43.52 111.067 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.9 m0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.829 0.347 . . . . 73.5 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.17 105.45 0.66 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.752 . . . . 73.12 112.449 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.439 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -147.46 118.75 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 75.13 110.87 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.8 p -126.86 150.43 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 75.11 111.115 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 m -138.24 142.56 39.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 75.3 110.843 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -80.71 72.66 7.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.1 110.863 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.48 -85.16 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.745 -0.741 . . . . 72.21 112.484 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -137.44 175.24 9.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.972 0.415 . . . . 71.43 110.853 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 p -76.54 -39.95 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 73.44 111.101 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.97 -38.84 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 75.43 111.043 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.89 -29.38 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.3 111.071 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.39 -50.2 70.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 74.21 111.065 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -72.69 -26.26 61.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.87 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -53.35 -31.29 43.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.8 -60.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.868 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 1.439 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 t-20 51.82 -169.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.869 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.33 -54.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.093 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.24 170.56 17.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 74.45 112.525 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -32.23 19.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.241 . . . . 75.33 112.359 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.66 23.99 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.109 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -137.55 139.02 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.928 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.8 m -116.19 120.85 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 73.55 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.9 t -132.63 115.5 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.14 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.23 99.23 1.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 74.31 112.513 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -82.35 110.74 17.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.953 0.406 . . . . 72.11 110.962 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.6 m -104.11 -61.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 73.05 110.885 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.85 -102.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 70.54 112.47 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -145.0 32.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 74.13 110.883 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -84.79 -27.38 26.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.898 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.24 167.02 11.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 64.51 112.494 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.96 -43.49 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 72.14 111.1 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.89 -55.55 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 71.44 111.159 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -46.7 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 73.33 111.127 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -52.05 -30.1 24.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.842 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -79.55 -47.5 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 73.04 110.908 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.32 -50.0 63.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.133 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -52.22 -57.54 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.855 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -25.28 61.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.52 111.073 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -71.8 -33.13 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.04 110.881 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.87 -32.66 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 64.41 111.109 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.5 -51.41 7.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 60.31 111.12 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -51.97 -30.06 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.42 110.866 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.2 m -86.09 -37.02 19.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 73.45 111.176 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 70.33 111.102 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m95 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.803 0.335 . . . . 73.45 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.9 99.56 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.744 . . . . 54.23 112.509 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.459 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -141.13 119.81 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 75.34 110.882 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 p -122.46 150.15 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.22 111.095 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 60.0 m -139.51 144.72 38.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.3 110.915 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -93.56 57.03 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 50.43 110.852 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.51 -90.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.767 . . . . 65.43 112.459 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.11 174.87 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 73.21 110.874 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.77 -38.43 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 75.14 111.138 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.46 -38.68 66.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 63.52 111.076 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.7 p -82.57 -30.35 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.45 111.117 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.77 79.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 75.34 111.153 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -78.95 -26.27 43.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 73.3 110.878 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 t -52.24 -35.83 50.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 62.23 110.857 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.48 -62.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.45 110.846 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.459 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.88 -169.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.891 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.39 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 72.51 111.083 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.77 165.72 11.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 71.4 112.478 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -19.46 36.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 74.53 112.331 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.91 -25.52 18.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 72.14 111.106 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -104.51 153.44 21.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.939 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.8 m -124.15 123.17 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 73.22 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -125.79 139.75 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 72.42 111.105 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.33 96.92 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 41.12 112.453 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -72.5 114.59 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 71.13 110.961 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.9 m -118.17 173.47 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.863 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.55 -131.85 2.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 64.24 112.457 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -108.11 43.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 74.35 110.892 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -97.81 -32.11 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 73.3 110.925 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.66 153.42 6.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.737 . . . . 72.22 112.494 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.88 -39.21 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 75.31 111.095 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.1 t -55.36 -51.15 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 70.14 111.115 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -48.08 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.2 111.129 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -30.16 23.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.865 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -82.33 -45.62 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.35 -41.53 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 72.22 111.1 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -57.33 -60.5 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.946 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.57 -25.35 52.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.098 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -70.4 -31.92 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.89 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.7 t -77.85 -30.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.104 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.89 -51.58 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 72.11 111.098 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -32.4 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.871 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.9 m -85.72 -34.77 21.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 70.3 111.103 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 62.24 111.086 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.77 0.319 . . . . 74.51 110.941 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.35 91.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 71.23 112.49 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.454 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.05 118.24 12.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 61.5 110.903 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.12 149.23 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.25 111.11 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.5 m -137.94 138.73 39.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.34 110.864 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -83.07 69.68 9.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.884 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.32 -94.22 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 71.03 112.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.53 176.4 6.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.944 0.402 . . . . 71.54 110.842 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.8 m -78.1 -37.87 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 74.42 111.149 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.53 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.42 111.105 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.74 -29.13 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 75.4 111.135 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.47 74.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.51 111.11 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -75.0 -27.6 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.916 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.49 -37.28 56.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.886 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.41 -60.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.855 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.454 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.84 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 73.41 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.04 -66.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 74.41 111.109 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.23 166.13 15.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 72.12 112.479 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -16.84 37.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 75.43 112.333 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.39 -25.4 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 64.11 111.066 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -104.05 136.53 43.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 75.1 110.907 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -107.98 136.12 48.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 74.24 110.858 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -139.62 119.12 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.1 111.125 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.53 98.1 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.712 -0.756 . . . . 64.2 112.504 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.33 112.88 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.932 0.396 . . . . 75.55 110.915 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.4 m -126.71 119.98 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 65.21 110.892 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.32 130.9 3.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 51.21 112.5 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 61.18 39.55 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 74.04 110.927 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -136.62 -57.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.888 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.54 -170.28 24.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 72.12 112.5 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.25 -43.93 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 74.5 111.07 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.05 -55.43 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.31 111.11 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -45.66 80.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.15 111.146 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -52.02 -30.1 23.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 70.2 110.88 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -82.97 -44.33 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.909 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.89 -45.22 67.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 72.13 111.112 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.17 -51.79 62.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.855 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.41 -25.98 60.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 75.02 111.096 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -70.82 -32.86 70.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.925 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.0 t -77.43 -35.71 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 72.45 111.11 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.51 -51.91 8.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 65.04 111.132 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -30.04 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 m -88.92 -37.4 15.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 75.14 111.183 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.55 111.081 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 39.3 m95 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.81 0.338 . . . . 71.24 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.8 88.2 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 64.21 112.511 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.428 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -136.18 114.45 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 72.45 110.885 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.44 149.82 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 75.41 111.133 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.0 m -137.41 147.93 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -91.29 58.21 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.838 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.08 -97.46 0.11 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 72.15 112.521 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -118.26 173.9 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.963 0.411 . . . . 74.01 110.859 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -78.34 -34.15 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 74.11 111.146 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.45 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.133 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -81.96 -28.59 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.138 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -48.62 79.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 73.34 111.104 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -80.35 -28.35 38.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 54.14 110.932 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t -53.6 -29.55 38.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 72.14 110.901 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.88 -61.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 75.35 110.835 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.428 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.2 t-20 51.82 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.902 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.82 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.14 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.13 170.64 35.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 64.41 112.455 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -28.61 24.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 73.32 112.314 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.68 24.01 12.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 72.33 111.121 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -120.71 140.07 52.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.93 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.1 m -113.71 117.49 31.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 72.41 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.4 t -130.05 115.25 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 70.2 111.14 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.98 106.77 1.98 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 71.04 112.513 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -80.46 114.1 19.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.976 0.417 . . . . 71.0 110.938 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.9 m -116.88 127.27 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 72.14 110.887 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.69 -134.33 2.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 64.4 112.524 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -106.03 40.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 75.54 110.845 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -89.3 -43.52 10.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.908 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.27 172.77 24.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.737 . . . . 72.34 112.479 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.38 -38.02 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 73.11 111.087 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -53.26 -52.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.12 111.173 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -45.73 75.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 61.33 111.167 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.05 -30.09 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.873 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -82.63 -43.19 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.58 -42.06 78.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 74.1 111.102 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -62.47 -60.07 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 71.22 110.866 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.84 -25.29 55.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.097 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -71.02 -33.1 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.909 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -77.9 -30.02 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.54 111.093 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.34 -51.49 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 60.31 111.087 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -30.02 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 75.11 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.6 p -80.35 -35.36 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 75.33 111.145 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 72.41 111.114 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.7 m95 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.813 0.34 . . . . 75.44 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.78 88.34 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 74.03 112.463 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.446 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -147.97 114.76 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 73.34 110.876 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.8 p -117.59 150.26 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 70.4 111.165 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 m -140.0 143.51 36.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.913 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 t -88.53 64.55 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.86 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.59 -94.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 75.32 112.51 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.82 174.82 6.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.009 0.433 . . . . 72.34 110.806 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -38.18 42.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 72.23 111.135 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.4 -37.68 67.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.12 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -82.09 -29.58 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 73.1 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.97 -47.0 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.4 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -80.33 -27.86 38.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.2 t -52.85 -34.2 53.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.846 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.91 -62.16 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.861 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.446 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.77 -169.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.895 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.2 -53.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 71.54 111.102 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.13 167.61 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.492 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -32.44 18.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 63.13 112.389 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.21 24.07 6.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.101 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -138.46 140.38 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 65.21 110.956 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.4 m -115.14 119.86 37.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.906 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.2 t -129.51 134.18 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.24 111.124 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.42 107.17 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 62.24 112.511 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -78.22 125.27 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.406 . . . . 74.1 110.878 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.4 m -129.04 153.55 47.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 73.31 110.903 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -111.29 -128.41 5.27 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 64.52 112.484 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.93 35.57 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 73.14 110.843 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -86.61 -38.52 17.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 70.51 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.93 159.7 9.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 74.53 112.471 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.8 t -56.26 -39.17 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 75.04 111.112 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -52.7 -54.64 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.132 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -52.74 -48.16 66.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 72.3 111.145 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -30.06 23.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 75.45 110.877 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -82.59 -42.5 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 72.54 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.71 -45.71 74.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 64.35 111.106 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -57.68 -58.55 7.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.911 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.21 -25.82 59.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 63.4 111.1 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -70.18 -30.62 67.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.898 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.0 t -77.89 -31.76 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 52.14 111.116 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.16 -51.22 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.5 111.084 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -27.15 46.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 75.14 110.904 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.5 m -90.75 -25.6 19.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.21 111.125 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 70.43 111.121 179.847 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.854 0.359 . . . . 75.32 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.32 92.88 0.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 73.43 112.484 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.445 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -135.2 114.75 12.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 64.33 110.862 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -120.28 148.29 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 61.41 111.137 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 m -138.92 144.34 39.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 65.34 110.86 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -91.1 56.18 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.0 -98.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 70.03 112.488 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.7 t -118.03 175.89 5.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 52.2 110.904 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.68 -34.24 46.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 73.24 111.123 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.4 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 61.44 111.094 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -81.93 -30.01 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.137 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.22 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.25 111.077 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -80.85 -26.59 36.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.83 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 t -52.66 -43.74 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.901 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.49 -60.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.44 110.814 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.445 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER 51.84 -169.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 75.03 110.891 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.43 -51.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 65.41 111.12 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.35 171.08 12.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 64.42 112.517 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -28.04 26.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 71.24 112.361 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.45 24.04 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 71.03 111.112 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -150.9 153.7 35.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.895 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.2 m -129.75 130.11 44.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 71.4 110.862 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -133.01 133.65 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.127 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.51 103.27 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 72.33 112.464 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -72.72 106.11 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 75.4 110.909 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -167.9 73.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.13 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.17 31.0 3.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 74.12 112.523 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -145.2 33.57 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 75.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -152.15 -61.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.54 175.27 47.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 64.2 112.497 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -71.68 -34.96 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 75.13 111.123 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.18 -56.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 70.41 111.158 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -45.13 78.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 61.33 111.142 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -30.09 23.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.85 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -82.65 -43.13 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 73.35 110.89 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.22 88.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.55 111.099 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.58 -58.75 5.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.911 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.5 39.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.33 111.121 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -71.09 -33.57 70.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.903 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.87 -30.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 75.03 111.119 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.72 -51.45 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.3 111.097 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -52.43 -31.32 33.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 74.53 110.849 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 p -79.24 -38.07 36.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 74.42 111.136 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.4 111.089 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 19.8 m95 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.813 0.34 . . . . 74.45 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.59 91.5 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 55.31 112.466 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.442 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.87 115.22 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 74.34 110.85 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -119.71 149.94 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 71.44 111.116 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.5 m -140.3 145.7 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 62.23 110.878 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -85.95 53.72 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.857 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.61 -108.24 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 71.23 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.62 176.22 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.948 0.404 . . . . 71.13 110.834 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 m -78.74 -28.96 44.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.158 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.3 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 74.42 111.07 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -83.74 -30.64 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.104 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.71 -48.23 81.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 71.2 111.107 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -77.63 -26.25 50.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.92 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.0 t -52.76 -30.24 31.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 75.11 110.866 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -98.28 -62.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.852 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.442 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.81 -169.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.15 110.906 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.71 -40.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.085 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.29 166.52 21.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 74.22 112.5 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -41.12 4.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.257 . . . . 75.11 112.339 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.14 24.07 12.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 72.52 111.087 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -115.15 152.58 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.865 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.5 m -123.94 124.15 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 75.35 110.918 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.6 t -142.07 145.96 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 65.24 111.145 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.35 117.94 2.53 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.699 -0.762 . . . . 64.12 112.468 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -104.65 112.38 25.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.381 . . . . 70.51 110.949 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 m -113.59 140.18 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.907 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.85 130.48 3.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 72.34 112.459 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 62.88 26.41 15.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 72.44 110.902 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -120.98 -66.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 75.32 110.91 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.04 -161.59 29.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.475 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -86.48 -39.46 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 75.32 111.087 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.5 t -53.36 -63.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.14 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -40.37 81.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 71.32 111.155 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -30.12 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 71.22 110.862 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -82.93 -48.86 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 73.41 110.887 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.79 -35.39 43.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.5 111.101 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -52.01 -50.38 61.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.874 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.55 -25.28 59.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.24 111.073 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -70.51 -32.3 69.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 73.34 110.888 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.9 t -77.48 -30.55 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.5 111.122 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.31 -50.92 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.34 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -30.17 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.1 p -81.42 -37.01 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.123 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 71.13 111.098 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.785 0.326 . . . . 74.03 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.96 91.14 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 73.24 112.489 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.451 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -153.1 121.09 6.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 72.34 110.884 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.2 p -119.56 149.96 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.44 111.091 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.7 m -141.23 146.85 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.828 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 p -94.15 59.92 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.862 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.4 -87.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 71.41 112.475 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -131.65 174.27 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 74.1 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 m -76.17 -40.96 51.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 73.21 111.169 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.0 -40.05 60.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 63.44 111.099 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.27 -30.09 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.142 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.86 79.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 54.41 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -78.94 -27.19 43.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.917 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.0 t -52.59 -33.45 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.01 110.895 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.1 -62.26 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 72.41 110.842 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.451 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.8 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.895 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.42 -53.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.135 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.64 169.16 23.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 62.23 112.495 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -29.38 23.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 75.0 112.312 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.13 23.96 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.072 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -124.87 136.98 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.936 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.2 m -110.8 115.11 28.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 71.24 110.917 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.33 135.52 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.32 111.117 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.1 119.19 2.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 72.04 112.485 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -71.77 120.32 17.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.938 0.399 . . . . 75.13 110.911 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 83.1 m -145.42 142.93 29.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 75.15 110.872 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.82 134.05 1.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 65.42 112.5 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.5 t30 60.41 27.04 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 71.43 110.889 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -127.96 -55.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.5 -168.68 31.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.736 . . . . 51.35 112.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.47 -43.13 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 72.51 111.13 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.1 t -52.29 -56.63 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.12 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -47.36 73.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 63.13 111.093 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -30.07 24.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 72.13 110.863 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -82.75 -46.33 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 60.15 110.921 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.11 -42.05 62.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 75.22 111.099 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -62.92 -59.64 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 75.31 110.921 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.61 -25.6 53.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.13 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -70.71 -32.44 69.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.877 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.85 -29.68 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 72.12 111.141 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.84 -51.89 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.02 111.118 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -52.46 -31.57 35.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 75.03 110.866 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 83.4 m -86.22 -33.07 20.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 75.31 111.169 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 62.41 111.111 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 75.31 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.73 104.97 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 73.2 112.487 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.453 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -143.97 118.8 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 65.44 110.928 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -121.65 148.23 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.35 111.122 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 m -138.45 140.97 39.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -85.26 54.63 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.05 110.809 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.51 -106.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 74.1 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.1 175.62 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 73.32 110.836 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -78.72 -27.42 44.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 72.24 111.154 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.29 79.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.089 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.02 -28.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 75.3 111.146 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.34 -47.78 82.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 74.25 111.107 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -78.5 -26.24 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 65.23 110.876 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.9 t -52.77 -41.57 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.862 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -90.69 -61.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 74.52 110.837 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.453 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 t-20 51.78 -169.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 70.31 110.867 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.85 -62.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.068 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.62 166.89 12.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 51.21 112.489 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -21.88 33.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 74.42 112.339 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.82 24.03 11.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.14 111.065 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -149.19 171.26 16.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.93 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.4 m -143.32 132.98 23.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 74.33 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.0 t -136.8 139.44 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 73.31 111.081 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.39 100.86 0.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 61.34 112.497 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -74.03 115.34 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 74.34 110.906 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 p -173.53 55.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 61.14 110.871 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.44 48.94 0.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 61.24 112.483 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -166.69 31.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 74.4 110.9 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -145.68 -51.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.62 -168.96 41.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 74.35 112.453 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.5 t -83.63 -42.62 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 51.22 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -54.09 -53.36 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 63.14 111.126 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -48.09 76.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 64.23 111.112 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -52.06 -30.07 24.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 75.51 110.86 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.87 -42.84 17.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.893 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.3 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.109 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -65.79 -56.03 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.89 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.53 39.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.097 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -71.05 -33.42 70.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.57 -29.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 64.1 111.111 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.31 -51.88 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 70.42 111.135 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -52.52 -32.04 38.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.891 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.2 m -86.89 -32.67 20.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 73.12 111.164 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.33 111.098 179.863 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.871 0.367 . . . . 74.22 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.17 92.56 0.65 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 52.32 112.483 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.432 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -153.43 114.89 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 73.33 110.912 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.5 p -119.17 149.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 74.55 111.104 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.6 m -139.94 145.54 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 54.55 110.897 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -88.32 72.97 8.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 65.33 110.862 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.31 -88.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 64.21 112.53 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -130.81 172.69 11.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.995 0.426 . . . . 73.12 110.828 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -77.22 -33.43 56.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 74.24 111.099 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.35 76.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 70.21 111.105 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.99 -28.97 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.34 111.109 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.85 81.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 62.24 111.113 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -78.39 -27.02 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.918 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -52.13 -30.6 27.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 52.12 110.831 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.82 -60.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.42 110.88 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.432 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.5 t-20 51.8 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 71.3 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.0 -54.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 70.43 111.093 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.75 167.97 16.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.77 . . . . 71.12 112.477 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -29.08 24.47 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.617 2.211 . . . . 70.14 112.381 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.15 24.03 10.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 63.1 111.105 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -136.49 142.28 43.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.922 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.8 m -116.85 119.11 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.871 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.1 t -129.52 117.88 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.099 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.85 104.92 1.82 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 74.2 112.461 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.84 115.39 10.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.936 0.398 . . . . 74.24 110.961 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.4 m -126.74 117.27 22.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.14 -134.76 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 54.42 112.519 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -101.24 36.38 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 62.42 110.86 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -85.69 -31.27 22.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.862 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.58 -163.36 29.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.9 t -94.22 -35.5 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 70.33 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.22 -51.35 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 74.24 111.079 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -45.73 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.34 111.088 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.04 -30.05 23.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.892 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -82.26 -48.16 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 63.12 110.872 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.43 -48.31 68.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 70.22 111.08 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -53.48 -58.03 8.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 64.5 110.878 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.51 -25.66 52.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 73.02 111.087 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -70.75 -32.78 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.906 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.9 -29.95 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 72.22 111.103 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.51 -51.46 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 74.41 111.123 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -32.1 39.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.13 110.877 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 m -88.54 -30.43 19.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 65.11 111.116 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.092 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.3 m95 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.828 0.347 . . . . 74.01 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.74 90.63 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 70.03 112.483 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.46 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -144.29 115.01 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 73.02 110.885 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.2 p -123.28 148.72 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 64.21 111.107 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.4 m -137.33 142.86 41.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.911 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -85.61 74.01 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.842 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.45 -92.09 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 72.1 112.471 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.77 177.38 6.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 70.0 110.882 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 m -78.74 -38.91 37.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 75.4 111.144 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.4 -37.2 62.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 51.35 111.099 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.17 -29.4 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 71.2 111.09 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.13 67.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 64.34 111.129 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -73.42 -26.38 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.4 110.901 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -41.72 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.898 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -91.5 -61.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 74.33 110.832 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.46 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.78 -169.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 74.44 110.854 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.54 -66.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 54.13 111.087 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.05 179.11 39.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.682 -0.77 . . . . 64.34 112.46 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -37.7 8.79 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.712 2.275 . . . . 74.01 112.354 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.1 24.02 13.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 74.35 111.11 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -125.64 134.19 51.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.912 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.5 m -111.87 134.15 53.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 73.4 110.911 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.5 t -143.44 117.88 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 71.15 111.096 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.44 114.08 4.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 55.51 112.492 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -75.13 106.43 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 75.05 110.941 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 83.5 m -121.9 106.55 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 60.34 110.874 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.68 -128.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.706 -0.759 . . . . 63.01 112.474 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -96.36 26.45 4.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 74.34 110.916 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -75.24 -34.16 61.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.871 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.65 -161.84 22.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 62.23 112.476 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -85.4 -28.19 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 73.52 111.152 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.1 t -55.24 -66.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 64.35 111.139 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -38.52 74.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.152 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -52.0 -30.15 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.826 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -82.7 -49.07 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.879 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.75 -40.99 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 75.2 111.13 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -63.79 -58.04 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.95 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.19 -25.43 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 65.52 111.085 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -71.14 -33.59 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 70.44 110.905 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.2 t -77.97 -29.92 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 75.1 111.111 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.17 -51.38 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.11 111.089 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -52.13 -31.82 32.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.53 110.86 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -86.14 -40.74 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.184 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 73.12 111.076 179.856 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.807 0.337 . . . . 74.41 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.23 99.26 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 64.33 112.464 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.43 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -149.53 114.48 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 73.34 110.855 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.5 148.27 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 73.22 111.127 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 m -136.19 148.07 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 64.31 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -87.08 68.99 10.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.901 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.02 -91.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 72.1 112.483 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -128.25 176.82 7.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 71.33 110.843 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -39.98 34.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 73.34 111.15 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.69 -37.09 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.24 111.101 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.01 -29.62 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.101 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.81 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.41 111.144 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.21 -26.44 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 72.52 110.896 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -52.25 -34.15 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.874 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.38 -61.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 63.24 110.823 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.43 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.78 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 61.0 110.901 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.74 -63.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 63.34 111.092 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.84 174.67 40.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.04 112.459 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -35.5 12.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 71.33 112.323 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.58 24.03 13.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.25 111.091 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -120.51 158.24 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 73.35 110.891 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 82.3 m -133.96 134.64 42.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 72.34 110.844 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.22 119.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.2 111.127 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.35 102.59 1.84 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 73.14 112.477 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -91.35 110.76 22.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.909 0.385 . . . . 75.32 110.963 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.0 p -167.26 118.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 70.33 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.71 34.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 70.53 112.498 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -138.41 28.99 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 64.23 110.866 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -149.05 -65.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 72.2 110.861 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.58 176.68 44.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 72.35 112.462 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.45 -37.79 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 64.42 111.158 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.75 -51.81 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 70.33 111.173 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -49.21 76.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 65.25 111.168 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -30.11 24.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.816 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -82.86 -51.79 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.853 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.15 -32.51 36.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.082 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.65 -54.18 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.07 -25.23 44.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 72.42 111.062 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -71.59 -34.57 70.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.85 -29.52 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.54 111.159 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.1 -51.81 6.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.25 111.114 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -52.38 -32.03 36.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 73.02 110.87 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.8 p -81.73 -34.3 30.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 74.11 111.141 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.41 111.077 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 22.3 p-90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.866 0.365 . . . . 73.35 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.5 90.32 0.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 73.2 112.487 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.452 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -144.11 115.33 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.01 110.911 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.5 p -117.53 149.38 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 65.11 111.152 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 56.3 m -137.57 145.78 43.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -92.88 54.91 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.815 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.69 -93.59 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 62.43 112.466 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 m -125.35 176.11 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 72.51 110.849 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -40.1 51.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 73.32 111.173 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.34 -39.42 60.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.13 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.5 -30.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 73.42 111.145 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.25 81.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 61.41 111.136 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -80.73 -26.72 37.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 t -53.12 -38.44 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 65.25 110.872 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.11 -62.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.855 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.452 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.82 -169.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.915 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.25 -63.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 53.23 111.112 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.34 170.41 36.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 73.13 112.471 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -32.55 18.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.22 . . . . 72.24 112.354 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.65 24.06 13.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.104 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -120.97 134.15 55.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.871 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -105.65 115.82 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 64.55 110.825 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.5 t -132.13 118.52 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.15 111.163 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.1 111.92 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 75.34 112.526 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -78.77 114.05 17.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 73.2 110.899 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.0 m -123.53 116.2 22.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.36 -123.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 52.45 112.502 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -120.62 55.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 74.41 110.881 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -106.53 -31.22 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 44.12 110.878 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.78 176.18 25.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 63.41 112.51 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.24 -35.87 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 73.21 111.121 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.29 -54.06 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.5 111.145 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.72 -46.16 74.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 65.55 111.171 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -30.07 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 71.2 110.888 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -82.34 -44.81 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 54.13 110.836 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.17 -39.31 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.08 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -64.92 -60.72 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.865 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.95 -26.35 47.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 71.24 111.092 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -69.87 -30.5 67.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 70.3 110.901 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.03 -33.49 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.44 111.116 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.28 -51.9 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.072 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -29.6 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 72.45 110.878 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.9 m -86.38 -37.76 18.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 63.24 111.143 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.43 111.11 179.849 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.783 0.325 . . . . 74.54 110.94 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.76 88.89 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 65.13 112.489 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.45 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -146.1 115.53 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 75.41 110.881 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 p -121.62 149.87 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 70.51 111.114 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.3 m -138.31 148.08 44.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 61.51 110.874 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -91.41 51.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 71.12 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.42 -106.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 73.03 112.456 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -108.97 174.5 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 74.13 110.873 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.8 m -78.74 -28.28 44.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 72.23 111.158 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.17 77.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.123 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.51 -29.59 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.134 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 71.34 111.139 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -78.58 -26.57 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 70.3 110.885 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -53.9 -30.18 45.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -62.83 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.864 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.45 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER 51.88 -169.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.896 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.93 -48.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.087 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.25 174.69 28.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 74.34 112.464 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -41.72 4.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 74.21 112.36 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.81 24.03 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 70.44 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -118.17 137.92 52.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.914 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.0 m -113.55 123.69 50.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 72.45 110.881 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.1 t -137.22 114.75 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 75.53 111.097 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.97 117.73 5.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 64.44 112.469 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.67 107.79 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.912 0.387 . . . . 73.51 110.93 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.6 m -122.16 106.58 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 64.53 110.859 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.78 -144.71 0.29 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 74.12 112.498 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -94.86 51.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 55.2 110.885 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -99.33 -63.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.86 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.67 -161.99 25.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 65.11 112.503 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.4 t -93.33 -39.43 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 75.21 111.108 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.8 t -53.71 -51.12 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 64.01 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -46.94 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.162 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -30.13 23.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.85 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -83.0 -41.05 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.893 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.59 -48.26 77.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 62.4 111.115 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -60.24 -57.96 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 70.53 110.901 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.97 -25.22 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.066 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -71.16 -33.39 69.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 73.24 110.859 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.29 -30.18 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.51 111.136 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.38 -51.87 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 63.12 111.108 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -31.23 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.907 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.3 m -86.01 -35.54 20.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 72.13 111.12 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 75.22 111.096 179.907 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.777 0.322 . . . . 71.32 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.75 101.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 74.24 112.493 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.459 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -143.11 116.33 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 43.5 110.898 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -124.0 148.91 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.083 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.2 m -137.35 143.6 42.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.52 110.897 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -89.41 60.37 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 62.44 110.856 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.75 -95.22 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.712 -0.756 . . . . 63.44 112.454 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.08 173.91 6.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.977 0.418 . . . . 75.3 110.829 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 p -78.45 -33.66 48.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 75.21 111.14 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.27 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 75.32 111.074 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -81.55 -29.18 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 72.31 111.09 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.17 83.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.11 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -79.98 -26.54 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 t -52.24 -37.58 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.837 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.97 -61.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.825 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.459 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.8 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.897 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.05 -66.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.102 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.69 171.28 30.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 62.44 112.507 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -26.17 27.84 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 64.32 112.304 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.46 24.06 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.11 111.108 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -134.77 135.95 42.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.898 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.9 m -112.39 119.68 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.7 t -129.54 135.52 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.4 111.104 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.2 110.85 0.94 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 41.53 112.524 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -72.86 115.89 12.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.934 0.397 . . . . 72.23 110.92 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.6 m -117.26 -55.42 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 74.32 110.896 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.99 -144.21 17.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 62.33 112.496 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -99.05 31.89 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 75.5 110.902 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -81.2 -48.57 11.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 165.63 -172.67 41.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 54.35 112.508 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.57 -45.16 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 73.01 111.136 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -52.2 -53.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 65.1 111.116 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -47.75 71.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 70.14 111.119 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -52.01 -30.12 23.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 74.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -82.98 -44.15 15.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.896 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.98 -46.38 64.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.42 111.12 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -65.06 -54.88 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.903 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.85 38.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 73.43 111.091 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.07 -31.14 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.902 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.6 t -77.73 -34.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.53 111.133 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.15 -51.04 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.11 111.078 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -28.98 26.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 70.44 110.902 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.1 m -83.72 -36.54 23.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 75.11 111.158 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.03 111.091 179.858 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.0 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.784 0.326 . . . . 74.32 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.69 99.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 64.41 112.48 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.452 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -146.79 114.27 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 73.4 110.892 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 p -122.76 148.94 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 75.12 111.134 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.7 m -136.07 146.6 47.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -94.32 64.81 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 55.54 110.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.21 -90.33 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.771 -0.728 . . . . 63.01 112.487 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.91 172.11 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.972 0.415 . . . . 72.13 110.848 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.63 -31.35 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 75.15 111.115 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.53 83.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.4 111.113 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.76 -29.71 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.178 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -47.54 85.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 74.43 111.094 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -80.26 -26.57 38.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 72.14 110.927 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 t -52.24 -41.96 63.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 44.41 110.811 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.42 -62.21 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.822 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.452 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.82 -169.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 73.43 110.868 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.14 -62.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.105 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.71 173.87 27.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 71.12 112.46 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.65 16.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 65.13 112.335 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.67 24.03 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 65.32 111.084 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -134.44 136.28 43.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 75.14 110.969 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.8 m -113.39 128.72 56.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 53.2 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -140.45 135.68 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.117 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.05 111.38 1.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 70.22 112.485 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -80.87 106.04 12.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.387 . . . . 75.22 110.919 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.7 m -100.93 -41.41 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 72.02 110.875 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.26 -113.88 3.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 72.52 112.437 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -131.98 96.81 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 73.34 110.866 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -153.27 -59.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 70.12 110.855 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.01 172.07 42.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 74.23 112.511 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.99 -40.99 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 75.24 111.114 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.29 -52.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 72.2 111.154 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -48.15 76.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 73.01 111.163 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -31.13 28.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 73.22 110.916 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -82.93 -43.85 16.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.918 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -43.13 63.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.5 111.113 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -65.81 -55.79 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 71.03 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.11 -25.41 45.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 61.21 111.148 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -70.89 -32.91 70.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.6 t -77.94 -31.65 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.079 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.83 -50.87 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.13 111.137 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -31.17 27.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.941 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.1 m -81.43 -36.56 29.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 65.11 111.145 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 75.4 111.089 179.886 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.85 0.357 . . . . 75.22 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.58 98.71 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 72.21 112.5 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.458 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.51 114.76 8.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 64.25 110.889 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.1 p -120.03 148.34 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.099 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 m -138.87 145.3 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 75.31 110.896 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -89.24 68.88 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.81 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.92 -79.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 73.21 112.472 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.83 174.35 10.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 73.02 110.887 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.9 m -75.43 -38.83 59.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 70.41 111.13 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.77 -40.44 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 73.41 111.118 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.4 -28.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 65.11 111.185 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.87 86.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.42 111.124 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -79.1 -27.03 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -52.23 -39.85 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -90.52 -60.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 72.43 110.858 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.458 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.8 -169.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.896 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.93 -57.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.13 111.14 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.93 170.15 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 73.14 112.458 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -24.23 29.93 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 71.44 112.348 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.19 24.07 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 75.21 111.133 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -138.46 134.92 34.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.875 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.7 m -110.89 130.82 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 74.02 110.896 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.9 t -139.24 138.45 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 75.24 111.09 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.32 110.39 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 74.23 112.485 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -87.78 106.33 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.909 0.385 . . . . 75.33 110.931 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.0 p -154.98 120.12 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.886 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.86 165.1 30.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 52.31 112.471 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.21 26.55 16.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 72.24 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -132.12 -72.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.843 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.67 160.04 25.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 72.3 112.53 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.1 t -57.53 -40.45 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 63.22 111.12 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.94 -52.23 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.104 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -48.89 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 70.14 111.138 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -31.34 29.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.847 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -83.0 -42.46 17.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.891 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.79 -50.42 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.45 111.097 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -55.47 -55.53 30.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.891 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.86 -25.6 43.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.32 111.104 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -32.32 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 75.43 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -77.78 -33.8 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 72.12 111.114 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.32 -51.08 8.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 72.33 111.08 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -31.02 28.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.914 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.0 m -86.92 -36.1 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 62.14 111.165 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.071 179.871 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.339 . . . . 75.11 110.952 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.46 95.86 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 73.12 112.468 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.439 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -136.35 115.04 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 71.22 110.901 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -118.96 150.61 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 74.12 111.116 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 56.2 m -138.44 149.84 45.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 72.42 110.83 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -95.68 54.81 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.889 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.26 -100.62 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 64.23 112.475 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.16 172.37 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 74.21 110.882 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -30.12 48.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 75.44 111.129 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -35.01 79.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 61.41 111.068 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -82.99 -28.71 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 74.44 111.1 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.95 83.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.101 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -79.55 -26.86 41.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 63.3 110.852 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -52.63 -30.59 32.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 62.25 110.877 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.99 -62.28 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 73.34 110.854 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.439 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.88 -169.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.862 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.47 -65.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.05 111.106 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.87 172.9 31.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 42.44 112.448 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -38.88 7.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 75.21 112.351 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.79 24.05 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 74.44 111.123 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -131.27 137.1 48.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.892 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.3 m -115.05 114.7 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 64.33 110.908 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -122.51 138.81 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.51 111.14 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.71 107.79 0.78 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.759 . . . . 62.41 112.457 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.89 113.41 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 74.34 110.929 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.5 m -121.9 102.44 8.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 65.52 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.66 -142.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 72.42 112.527 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -86.65 55.05 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 74.4 110.877 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -104.56 -59.72 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 65.43 110.906 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.31 -175.14 36.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 72.45 112.461 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.8 t -69.71 -38.71 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 70.31 111.115 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -53.29 -55.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 75.15 111.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -45.83 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.01 111.171 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -52.01 -31.69 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.869 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.04 -44.76 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.92 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.43 -40.7 71.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 70.24 111.111 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.3 -57.89 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 63.34 110.91 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.32 -25.28 48.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.093 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -70.53 -32.13 69.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 71.34 110.928 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.6 t -77.8 -30.19 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 74.22 111.143 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.35 -51.84 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.52 111.078 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -52.69 -29.66 27.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.3 m -91.54 -25.31 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.42 111.174 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 75.04 111.087 179.841 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.824 0.345 . . . . 72.12 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.96 104.02 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.688 -0.767 . . . . 75.45 112.437 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.458 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -139.54 116.01 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.37 . . . . 72.01 110.874 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.4 p -113.42 148.57 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.31 111.149 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.2 m -139.15 150.08 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 63.12 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -91.08 57.16 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 71.15 110.822 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.74 -96.62 0.1 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 60.23 112.481 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.07 176.11 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 71.04 110.873 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.68 -38.22 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 74.34 111.122 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.68 -36.94 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 53.21 111.097 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -82.54 -30.15 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 70.31 111.105 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.81 80.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.101 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -78.22 -26.89 47.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 70.21 110.876 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.7 t -52.93 -29.65 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.823 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.22 -62.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.848 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.458 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.7 t-20 51.84 -169.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.894 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.69 -63.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.22 111.076 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.59 177.62 28.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 71.44 112.494 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -32.84 17.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 72.54 112.33 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.97 24.05 12.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.24 111.133 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -136.75 155.67 49.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.926 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.4 m -136.18 135.4 39.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.22 110.867 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.7 t -135.67 132.56 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 75.42 111.158 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.94 104.32 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 74.33 112.48 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -52.5 110.85 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.901 0.381 . . . . 74.34 110.932 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.7 m -134.78 97.56 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 70.42 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.96 -117.12 0.47 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 74.53 112.477 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -112.97 45.89 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 72.22 110.899 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -96.47 -33.41 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.84 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.61 153.4 5.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 74.14 112.516 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -52.2 -40.93 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.359 . . . . 75.14 111.102 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.6 t -52.02 -51.57 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.109 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -47.27 76.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 65.51 111.109 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -52.01 -31.79 31.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -82.99 -43.32 16.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.903 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.52 -46.03 77.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.15 111.088 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.28 -56.23 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.94 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.79 -25.59 42.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.45 111.082 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -71.28 -33.79 70.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.862 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.9 t -77.93 -29.95 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 75.42 111.109 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.92 -51.91 6.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.102 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.5 -30.99 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 65.42 110.906 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.9 p -86.48 -38.18 17.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.12 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 54.13 111.097 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.81 0.338 . . . . 75.45 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.6 88.9 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 75.3 112.483 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.458 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -151.1 118.37 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 73.43 110.895 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.9 p -119.58 148.33 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 62.21 111.133 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 m -138.45 147.43 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.855 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 t -88.2 63.84 7.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 64.24 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.68 -81.7 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 73.34 112.465 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.17 177.81 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.398 . . . . 74.25 110.885 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -39.68 35.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.22 111.139 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.69 62.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.24 111.094 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.74 -28.82 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 72.24 111.132 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.21 86.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 41.22 111.128 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -78.93 -26.17 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.924 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -52.88 -31.27 38.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.876 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.48 -61.44 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.458 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.6 t-20 51.83 -169.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.97 -56.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.13 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.2 172.5 23.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 53.31 112.509 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -39.22 6.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.273 . . . . 71.34 112.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.88 24.06 6.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 63.51 111.076 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -131.06 164.75 24.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 74.03 110.901 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.5 m -141.9 127.23 18.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.909 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.3 t -133.96 132.15 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 73.21 111.173 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.16 113.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 63.13 112.467 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -69.51 126.02 28.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.951 0.405 . . . . 62.33 110.904 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.9 m -138.62 102.12 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 71.11 110.862 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.83 -131.25 0.34 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 75.4 112.522 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -95.77 48.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 74.02 110.909 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -99.74 -38.04 8.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 72.01 110.862 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.1 168.41 11.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 60.34 112.482 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.15 -31.53 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.23 111.104 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.09 -56.34 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 74.55 111.084 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -53.62 -45.01 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 73.42 111.147 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -32.62 35.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.826 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -82.97 -45.37 14.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.929 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.35 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 71.42 111.123 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -63.65 -54.85 29.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.16 -25.69 47.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.094 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -70.7 -32.33 69.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.938 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.5 t -77.61 -32.68 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 73.33 111.127 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.52 -51.63 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.111 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -29.75 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 74.33 110.877 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -87.01 -39.6 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 73.21 111.123 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 43.52 111.067 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.9 m0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.829 0.347 . . . . 73.5 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.17 105.45 0.66 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.752 . . . . 73.12 112.449 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.439 ' SG ' ' CA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -147.46 118.75 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 75.13 110.87 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.8 p -126.86 150.43 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 75.11 111.115 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 m -138.24 142.56 39.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 75.3 110.843 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -80.71 72.66 7.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.1 110.863 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.48 -85.16 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.745 -0.741 . . . . 72.21 112.484 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -137.44 175.24 9.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.972 0.415 . . . . 71.43 110.853 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 p -76.54 -39.95 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 73.44 111.101 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.97 -38.84 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 75.43 111.043 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.89 -29.38 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.3 111.071 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.39 -50.2 70.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 74.21 111.065 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -72.69 -26.26 61.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.87 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -53.35 -31.29 43.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.8 -60.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.868 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 1.439 ' CA ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 t-20 51.82 -169.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.869 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.33 -54.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.093 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.24 170.56 17.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 74.45 112.525 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -32.23 19.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.241 . . . . 75.33 112.359 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.66 23.99 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.109 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -137.55 139.02 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.928 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.8 m -116.19 120.85 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 73.55 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.9 t -132.63 115.5 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 73.14 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.23 99.23 1.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 74.31 112.513 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -82.35 110.74 17.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.953 0.406 . . . . 72.11 110.962 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.6 m -104.11 -61.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 73.05 110.885 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.85 -102.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 70.54 112.47 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -145.0 32.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 74.13 110.883 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -84.79 -27.38 26.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.898 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.24 167.02 11.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 64.51 112.494 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.96 -43.49 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 72.14 111.1 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.89 -55.55 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 71.44 111.159 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -46.7 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 73.33 111.127 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -52.05 -30.1 24.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.842 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -79.55 -47.5 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 73.04 110.908 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.32 -50.0 63.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.133 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -52.22 -57.54 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.855 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -25.28 61.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.52 111.073 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -71.8 -33.13 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.04 110.881 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.87 -32.66 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 64.41 111.109 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.5 -51.41 7.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 60.31 111.12 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -51.97 -30.06 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.42 110.866 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.2 m -86.09 -37.02 19.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 73.45 111.176 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 70.33 111.102 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m95 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.803 0.335 . . . . 71.34 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.9 99.56 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.744 . . . . 54.23 112.509 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.648 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -141.13 119.81 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 54.3 110.882 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.42 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.1 p -122.46 150.15 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.22 111.095 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 60.0 m -139.51 144.72 38.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.3 110.915 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -93.56 57.03 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 50.43 110.852 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.51 -90.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.767 . . . . 65.43 112.459 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.11 174.87 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 54.32 110.874 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.77 -38.43 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 51.01 111.138 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.46 -38.68 66.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 44.01 111.076 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.7 p -82.57 -30.35 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.45 111.117 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.77 79.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 75.34 111.153 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -78.95 -26.27 43.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 73.3 110.878 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 t -52.24 -35.83 50.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 51.41 110.857 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.48 -62.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.45 110.846 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.648 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.88 -169.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.891 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.39 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 44.5 111.083 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.77 165.72 11.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 71.4 112.478 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -19.46 36.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 74.53 112.331 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.91 -25.52 18.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 54.13 111.106 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -104.51 153.44 21.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.939 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.8 m -124.15 123.17 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 73.22 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -125.79 139.75 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 72.42 111.105 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.33 96.92 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 41.12 112.453 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -72.5 114.59 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 70.53 110.961 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.9 m -118.17 173.47 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.863 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.55 -131.85 2.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 64.24 112.457 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -108.11 43.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 74.35 110.892 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -97.81 -32.11 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 54.42 110.925 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.66 153.42 6.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.737 . . . . 53.02 112.494 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.88 -39.21 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 65.52 111.095 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.1 t -55.36 -51.15 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 54.03 111.115 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -48.08 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.12 111.129 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -30.16 23.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.865 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -82.33 -45.62 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -53.35 -41.53 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 72.22 111.1 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.5 m-80 -57.33 -60.5 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.946 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.57 -25.35 52.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.098 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -70.4 -31.92 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.89 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 36' ' ' ALA . 41.7 t -77.85 -30.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.104 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.89 -51.58 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 54.24 111.098 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -32.4 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.871 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.9 m -85.72 -34.77 21.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 65.52 111.103 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 62.24 111.086 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.77 0.319 . . . . 74.51 110.941 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.432 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -110.35 91.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 71.23 112.49 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.651 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.05 118.24 12.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 61.5 110.903 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.12 149.23 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.22 111.11 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.5 m -137.94 138.73 39.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 54.2 110.864 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -83.07 69.68 9.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.884 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.32 -94.22 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 54.05 112.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.53 176.4 6.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.944 0.402 . . . . 71.54 110.842 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.8 m -78.1 -37.87 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 71.44 111.149 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.53 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.35 111.105 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.74 -29.13 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 65.22 111.135 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.47 74.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.51 111.11 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -75.0 -27.6 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.916 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.49 -37.28 56.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.886 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.41 -60.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.855 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.651 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.84 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 73.41 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -167.04 -66.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.109 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.23 166.13 15.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 72.12 112.479 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -16.84 37.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 73.11 112.333 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.39 -25.4 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 43.14 111.066 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -104.05 136.53 43.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 75.1 110.907 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -107.98 136.12 48.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 74.24 110.858 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 17' ' ' ALA . 60.3 t -139.62 119.12 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.1 111.125 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.53 98.1 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.712 -0.756 . . . . 41.51 112.504 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.33 112.88 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.932 0.396 . . . . 72.32 110.915 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.4 m -126.71 119.98 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 41.13 110.892 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.32 130.9 3.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 51.21 112.5 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 61.18 39.55 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 74.04 110.927 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -136.62 -57.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 53.31 110.888 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.54 -170.28 24.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 72.12 112.5 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.25 -43.93 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 74.5 111.07 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.05 -55.43 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.31 111.11 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -45.66 80.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.15 111.146 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -52.02 -30.1 23.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 64.2 110.88 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -82.97 -44.33 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 64.12 110.909 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.89 -45.22 67.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 72.13 111.112 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.17 -51.79 62.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.855 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.41 -25.98 60.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 54.13 111.096 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -70.82 -32.86 70.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.925 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.0 t -77.43 -35.71 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 64.22 111.11 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.51 -51.91 8.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 65.04 111.132 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -30.04 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.2 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 m -88.92 -37.4 15.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.183 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.081 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 39.3 m95 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.81 0.338 . . . . 71.24 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.8 88.2 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 64.21 112.511 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.658 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -136.18 114.45 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 72.45 110.885 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.2 p -121.44 149.82 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 62.11 111.133 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.0 m -137.41 147.93 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.22 110.888 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -91.29 58.21 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.838 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.08 -97.46 0.11 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 54.52 112.521 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -118.26 173.9 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.963 0.411 . . . . 74.01 110.859 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -78.34 -34.15 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 74.11 111.146 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.45 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.133 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -81.96 -28.59 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 54.1 111.138 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -48.62 79.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 54.21 111.104 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -80.35 -28.35 38.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 54.14 110.932 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t -53.6 -29.55 38.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 43.35 110.901 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.88 -61.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 73.43 110.835 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.658 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.2 t-20 51.82 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.902 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -163.82 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.14 111.092 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.13 170.64 35.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 64.41 112.455 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -28.61 24.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 30.31 112.314 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.68 24.01 12.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 72.33 111.121 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -120.71 140.07 52.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.93 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.1 m -113.71 117.49 31.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG21 ' HB2' ' A' ' 17' ' ' ALA . 90.4 t -130.05 115.25 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 45.21 111.14 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.98 106.77 1.98 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 64.22 112.513 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -80.46 114.1 19.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.976 0.417 . . . . 70.31 110.938 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.9 m -116.88 127.27 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 44.3 110.887 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.69 -134.33 2.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 64.4 112.524 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -106.03 40.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 42.22 110.845 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -89.3 -43.52 10.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.908 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.27 172.77 24.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.737 . . . . 70.44 112.479 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.38 -38.02 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 63.54 111.087 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -53.26 -52.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 64.42 111.173 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -45.73 75.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 50.41 111.167 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.05 -30.09 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.873 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -82.63 -43.19 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 71.02 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.606 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -56.58 -42.06 78.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 74.1 111.102 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' HG11 ' A' ' 4' ' ' VAL . 6.3 m-80 -62.47 -60.07 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 71.22 110.866 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.84 -25.29 55.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.097 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -71.02 -33.1 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.909 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 36' ' ' ALA . 38.7 t -77.9 -30.02 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.54 111.093 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.34 -51.49 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 54.42 111.087 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -30.02 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 65.12 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.6 p -80.35 -35.36 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 71.2 111.145 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 55.12 111.114 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.7 m95 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.813 0.34 . . . . 74.32 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.78 88.34 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 72.14 112.463 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.656 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -147.97 114.76 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 72.4 110.876 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.452 HG11 ' O ' ' A' ' 37' ' ' ASN . 11.8 p -117.59 150.26 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 70.4 111.165 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 m -140.0 143.51 36.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.913 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 t -88.53 64.55 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.86 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.59 -94.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 73.12 112.51 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.82 174.82 6.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.009 0.433 . . . . 64.01 110.806 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -38.18 42.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 72.23 111.135 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.4 -37.68 67.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.12 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -82.09 -29.58 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 71.43 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.97 -47.0 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.4 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -80.33 -27.86 38.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 50.12 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.2 t -52.85 -34.2 53.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.846 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.91 -62.16 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.861 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.656 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.77 -169.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.895 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -168.2 -53.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 71.42 111.102 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.13 167.61 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.492 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -32.44 18.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 63.13 112.389 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.21 24.07 6.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.101 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -138.46 140.38 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 64.52 110.956 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.4 m -115.14 119.86 37.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.906 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 17' ' ' ALA . 38.2 t -129.51 134.18 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.34 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.42 107.17 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 62.24 112.511 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -78.22 125.27 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.406 . . . . 74.1 110.878 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.4 m -129.04 153.55 47.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 73.31 110.903 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -111.29 -128.41 5.27 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 64.52 112.484 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.93 35.57 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 73.14 110.843 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -86.61 -38.52 17.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 65.33 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.93 159.7 9.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.471 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.8 t -56.26 -39.17 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 73.12 111.112 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -52.7 -54.64 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 70.15 111.132 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -52.74 -48.16 66.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 72.3 111.145 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -30.06 23.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 75.45 110.877 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -82.59 -42.5 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -54.71 -45.71 74.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 60.33 111.106 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' HG11 ' A' ' 4' ' ' VAL . 7.0 m-80 -57.68 -58.55 7.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.911 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.21 -25.82 59.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 63.01 111.1 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -70.18 -30.62 67.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 62.44 110.898 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 36' ' ' ALA . 42.0 t -77.89 -31.76 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 52.14 111.116 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.16 -51.22 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.5 111.084 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -27.15 46.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 62.3 110.904 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.5 m -90.75 -25.6 19.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 71.34 111.125 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 70.43 111.121 179.847 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.854 0.359 . . . . 62.12 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.438 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -104.32 92.88 0.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 73.43 112.484 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.621 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -135.2 114.75 12.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 64.33 110.862 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -120.28 148.29 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 61.41 111.137 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 m -138.92 144.34 39.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 65.23 110.86 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -91.1 56.18 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 54.44 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.0 -98.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 70.03 112.488 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.7 t -118.03 175.89 5.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 52.2 110.904 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.68 -34.24 46.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 61.44 111.123 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.4 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 45.44 111.094 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -81.93 -30.01 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.137 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.22 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 71.33 111.077 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -80.85 -26.59 36.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.83 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 t -52.66 -43.74 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 61.03 110.901 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.49 -60.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.44 110.814 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.621 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER 51.84 -169.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.891 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -167.43 -51.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 62.51 111.12 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.35 171.08 12.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 64.42 112.517 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -28.04 26.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 71.24 112.361 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.45 24.04 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 71.03 111.112 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -150.9 153.7 35.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.895 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.2 m -129.75 130.11 44.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 71.4 110.862 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 61.2 t -133.01 133.65 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.127 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.51 103.27 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 72.33 112.464 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -72.72 106.11 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 74.03 110.909 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -167.9 73.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 60.02 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.17 31.0 3.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 74.12 112.523 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -145.2 33.57 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 75.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -152.15 -61.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.54 175.27 47.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 64.2 112.497 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -71.68 -34.96 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 71.15 111.123 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.18 -56.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 63.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -45.13 78.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 54.03 111.142 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -30.09 23.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.85 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -82.65 -43.13 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 73.35 110.89 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -60.09 -40.22 88.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.55 111.099 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.58 -58.75 5.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.911 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.5 39.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.33 111.121 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -71.09 -33.57 70.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 71.02 110.903 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 36' ' ' ALA . 47.9 t -77.87 -30.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 75.03 111.119 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.72 -51.45 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.3 111.097 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -52.43 -31.32 33.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 65.11 110.849 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 p -79.24 -38.07 36.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 63.34 111.136 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.4 111.089 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 19.8 m95 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.813 0.34 . . . . 74.45 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.59 91.5 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 41.22 112.466 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.603 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.87 115.22 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 72.22 110.85 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -119.71 149.94 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 53.41 111.116 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.5 m -140.3 145.7 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 50.42 110.878 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -85.95 53.72 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.857 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.61 -108.24 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 71.23 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.62 176.22 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.948 0.404 . . . . 71.13 110.834 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 m -78.74 -28.96 44.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.158 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.3 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 64.43 111.07 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -83.74 -30.64 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.104 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.71 -48.23 81.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 42.14 111.107 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -77.63 -26.25 50.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.92 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.0 t -52.76 -30.24 31.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 75.11 110.866 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -98.28 -62.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.852 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.603 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.81 -169.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 53.43 110.906 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -168.71 -40.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 64.24 111.085 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.29 166.52 21.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 64.13 112.5 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -41.12 4.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.257 . . . . 75.11 112.339 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.14 24.07 12.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 52.24 111.087 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -115.15 152.58 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 64.33 110.865 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.5 m -123.94 124.15 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 75.35 110.918 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 17' ' ' ALA . 46.6 t -142.07 145.96 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 62.53 111.145 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.35 117.94 2.53 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.699 -0.762 . . . . 51.25 112.468 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -104.65 112.38 25.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.381 . . . . 63.13 110.949 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 m -113.59 140.18 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.907 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.85 130.48 3.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 72.34 112.459 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 62.88 26.41 15.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 71.13 110.902 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -120.98 -66.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 75.32 110.91 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.04 -161.59 29.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.475 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -86.48 -39.46 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 75.32 111.087 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.5 t -53.36 -63.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 70.13 111.14 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -40.37 81.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 71.32 111.155 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -30.12 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 65.42 110.862 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -82.93 -48.86 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 70.54 110.887 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.79 -35.39 43.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 73.44 111.101 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -52.01 -50.38 61.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.874 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.55 -25.28 59.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.24 111.073 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -70.51 -32.3 69.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 73.34 110.888 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.9 t -77.48 -30.55 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.5 111.122 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.31 -50.92 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 65.03 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD2' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -52.02 -30.17 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 54.41 110.905 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.429 HG23 ' HD2' ' A' ' 42' ' ' LYS . 12.1 p -81.42 -37.01 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 72.13 111.123 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 71.13 111.098 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.785 0.326 . . . . 73.34 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.96 91.14 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 73.24 112.489 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.616 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -153.1 121.09 6.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 72.34 110.884 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.633 HG11 ' O ' ' A' ' 37' ' ' ASN . 13.2 p -119.56 149.96 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.4 111.091 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.7 m -141.23 146.85 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.828 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 p -94.15 59.92 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.862 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.4 -87.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 71.41 112.475 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -131.65 174.27 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 74.1 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 m -76.17 -40.96 51.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 73.21 111.169 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.0 -40.05 60.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 63.44 111.099 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.27 -30.09 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 52.45 111.142 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.86 79.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 50.45 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -78.94 -27.19 43.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.917 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.0 t -52.59 -33.45 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.01 110.895 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.1 -62.26 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 72.23 110.842 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.616 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.8 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.895 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -169.42 -53.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.135 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.64 169.16 23.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 55.51 112.495 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -29.38 23.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 73.03 112.312 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.13 23.96 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.072 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -124.87 136.98 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.936 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.2 m -110.8 115.11 28.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 71.24 110.917 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.576 HG21 ' HB2' ' A' ' 17' ' ' ALA . 48.9 t -127.33 135.52 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.1 111.117 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.1 119.19 2.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 72.04 112.485 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -71.77 120.32 17.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.938 0.399 . . . . 75.13 110.911 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 83.1 m -145.42 142.93 29.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 74.03 110.872 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.82 134.05 1.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 65.42 112.5 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.5 t30 60.41 27.04 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 71.43 110.889 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -127.96 -55.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 70.11 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.5 -168.68 31.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.736 . . . . 51.35 112.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.47 -43.13 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 53.05 111.13 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.1 t -52.29 -56.63 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.5 111.12 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -47.36 73.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 61.32 111.093 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -30.07 24.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 72.13 110.863 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -82.75 -46.33 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 53.43 110.921 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -52.11 -42.05 62.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 75.22 111.099 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.633 ' O ' HG11 ' A' ' 4' ' ' VAL . 4.9 m-80 -62.92 -59.64 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 51.34 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.61 -25.6 53.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 60.45 111.13 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -70.71 -32.44 69.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 71.14 110.877 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 36' ' ' ALA . 59.4 t -77.85 -29.68 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 71.41 111.141 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.84 -51.89 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 64.33 111.118 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -52.46 -31.57 35.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.866 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 83.4 m -86.22 -33.07 20.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 75.31 111.169 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 62.41 111.111 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 75.31 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.73 104.97 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 73.2 112.487 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.638 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -143.97 118.8 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 24.21 110.928 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -121.65 148.23 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.35 111.122 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 m -138.45 140.97 39.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -85.26 54.63 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.05 110.809 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.51 -106.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 74.1 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.1 175.62 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 71.32 110.836 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -78.72 -27.42 44.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 72.24 111.154 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.29 79.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.089 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.02 -28.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.146 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.34 -47.78 82.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 54.51 111.107 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -78.5 -26.24 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 65.23 110.876 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.9 t -52.77 -41.57 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.862 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -90.69 -61.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 74.52 110.837 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.638 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 t-20 51.78 -169.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 55.35 110.867 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.508 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -160.85 -62.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.068 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.62 166.89 12.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 51.21 112.489 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -21.88 33.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 52.15 112.339 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.82 24.03 11.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 63.3 111.065 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -149.19 171.26 16.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.93 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.4 m -143.32 132.98 23.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 74.33 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.508 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 90.0 t -136.8 139.44 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 61.25 111.081 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.39 100.86 0.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 53.13 112.497 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -74.03 115.34 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 73.35 110.906 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.41 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 6.1 p -173.53 55.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 53.22 110.871 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.44 48.94 0.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 61.24 112.483 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -166.69 31.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 74.4 110.9 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -145.68 -51.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.62 -168.96 41.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 65.12 112.453 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.5 t -83.63 -42.62 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 50.33 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -54.09 -53.36 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 54.25 111.126 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -48.09 76.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 64.23 111.112 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -52.06 -30.07 24.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.86 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.87 -42.84 17.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.893 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.3 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.109 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 26' ' ' CYS . 10.6 m-80 -65.79 -56.03 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.53 39.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 52.2 111.097 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -71.05 -33.42 70.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 55.44 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.57 -29.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 61.54 111.111 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.31 -51.88 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 61.22 111.135 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -52.52 -32.04 38.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.891 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.2 m -86.89 -32.67 20.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 73.1 111.164 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.33 111.098 179.863 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.871 0.367 . . . . 74.22 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.17 92.56 0.65 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 41.5 112.483 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.657 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -153.43 114.89 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 73.33 110.912 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.462 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.5 p -119.17 149.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 74.02 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.6 m -139.94 145.54 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 53.13 110.897 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -88.32 72.97 8.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 65.33 110.862 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.31 -88.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 64.21 112.53 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -130.81 172.69 11.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.995 0.426 . . . . 73.12 110.828 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -77.22 -33.43 56.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 73.35 111.099 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.35 76.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 63.1 111.105 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.99 -28.97 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.32 111.109 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.85 81.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 62.24 111.113 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -78.39 -27.02 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.918 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -52.13 -30.6 27.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 52.12 110.831 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.82 -60.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 70.13 110.88 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.657 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.5 t-20 51.8 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 51.53 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -167.0 -54.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 70.43 111.093 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.75 167.97 16.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.77 . . . . 71.12 112.477 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -29.08 24.47 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.617 2.211 . . . . 64.01 112.381 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.15 24.03 10.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 63.1 111.105 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -136.49 142.28 43.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.922 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.8 m -116.85 119.11 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.871 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 17' ' ' ALA . 61.1 t -129.52 117.88 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.099 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.85 104.92 1.82 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 32.13 112.461 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.84 115.39 10.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.936 0.398 . . . . 74.24 110.961 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.4 m -126.74 117.27 22.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.14 -134.76 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 54.34 112.519 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -101.24 36.38 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 62.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -85.69 -31.27 22.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.862 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.58 -163.36 29.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.9 t -94.22 -35.5 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 70.33 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.22 -51.35 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 64.11 111.079 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -45.73 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.34 111.088 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.04 -30.05 23.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 72.11 110.892 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -82.26 -48.16 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 63.12 110.872 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.43 -48.31 68.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 54.23 111.08 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.462 ' O ' HG11 ' A' ' 4' ' ' VAL . 9.2 m-80 -53.48 -58.03 8.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 63.43 110.878 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.51 -25.66 52.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 73.02 111.087 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -70.75 -32.78 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.906 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.9 -29.95 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 72.22 111.103 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.51 -51.46 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 53.32 111.123 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -32.1 39.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 55.23 110.877 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 m -88.54 -30.43 19.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 64.24 111.116 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 50.41 111.092 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.3 m95 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.828 0.347 . . . . 64.23 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.74 90.63 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 44.32 112.483 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.647 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -144.29 115.01 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 73.02 110.885 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.2 p -123.28 148.72 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 54.53 111.107 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.4 m -137.33 142.86 41.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.911 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -85.61 74.01 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.842 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.45 -92.09 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 72.1 112.471 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.77 177.38 6.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 54.01 110.882 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 m -78.74 -38.91 37.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 75.4 111.144 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.4 -37.2 62.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 43.31 111.099 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.17 -29.4 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 71.12 111.09 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.13 67.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 61.32 111.129 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -73.42 -26.38 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.4 110.901 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -41.72 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.898 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -91.5 -61.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 74.33 110.832 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.647 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.78 -169.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 65.32 110.854 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -158.54 -66.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 54.13 111.087 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.05 179.11 39.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.682 -0.77 . . . . 61.31 112.46 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -37.7 8.79 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.712 2.275 . . . . 72.1 112.354 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.1 24.02 13.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 74.35 111.11 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -125.64 134.19 51.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.912 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.5 m -111.87 134.15 53.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 44.41 110.911 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 65.5 t -143.44 117.88 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 71.15 111.096 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.44 114.08 4.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 43.43 112.492 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -75.13 106.43 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 71.22 110.941 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 83.5 m -121.9 106.55 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 52.33 110.874 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.68 -128.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.706 -0.759 . . . . 62.34 112.474 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -96.36 26.45 4.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 74.34 110.916 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -75.24 -34.16 61.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.871 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.65 -161.84 22.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 35.21 112.476 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -85.4 -28.19 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 63.54 111.152 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.1 t -55.24 -66.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 64.21 111.139 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -38.52 74.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.152 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -52.0 -30.15 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.826 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -82.7 -49.07 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.879 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.75 -40.99 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 75.2 111.13 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.79 -58.04 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.95 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.19 -25.43 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 60.41 111.085 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -71.14 -33.59 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 70.44 110.905 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 36' ' ' ALA . 49.2 t -77.97 -29.92 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.51 111.111 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.17 -51.38 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 34.53 111.089 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -52.13 -31.82 32.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.53 110.86 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -86.14 -40.74 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.184 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 60.53 111.076 179.856 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.807 0.337 . . . . 74.41 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.496 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -105.23 99.26 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 64.33 112.464 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.652 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -149.53 114.48 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 71.01 110.855 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.5 148.27 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 72.3 111.127 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 m -136.19 148.07 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 64.31 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -87.08 68.99 10.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.901 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.02 -91.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 72.1 112.483 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -128.25 176.82 7.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 71.33 110.843 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -39.98 34.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 73.34 111.15 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.69 -37.09 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 54.12 111.101 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.01 -29.62 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 64.44 111.101 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.81 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.41 111.144 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.21 -26.44 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 72.52 110.896 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -52.25 -34.15 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.1 110.874 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.38 -61.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 61.23 110.823 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.652 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.78 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 52.32 110.901 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.74 -63.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 63.34 111.092 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.84 174.67 40.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.04 112.459 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -35.5 12.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 64.14 112.323 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.58 24.03 13.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 62.44 111.091 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -120.51 158.24 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.891 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 82.3 m -133.96 134.64 42.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 72.34 110.844 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.22 119.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.2 111.127 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.35 102.59 1.84 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 73.14 112.477 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -91.35 110.76 22.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.909 0.385 . . . . 63.11 110.963 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.0 p -167.26 118.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 70.21 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.71 34.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 65.43 112.498 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -138.41 28.99 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 64.23 110.866 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -149.05 -65.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.861 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.58 176.68 44.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 72.35 112.462 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.45 -37.79 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 64.42 111.158 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.75 -51.81 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 65.34 111.173 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -49.21 76.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 45.42 111.168 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -30.11 24.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.816 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -82.86 -51.79 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.853 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.15 -32.51 36.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.082 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.65 -54.18 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.07 -25.23 44.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 64.01 111.062 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -71.59 -34.57 70.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.85 -29.52 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 72.32 111.159 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.1 -51.81 6.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.25 111.114 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -52.38 -32.03 36.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 71.44 110.87 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.8 p -81.73 -34.3 30.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 52.51 111.141 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.41 111.077 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 22.3 p-90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.866 0.365 . . . . 73.35 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.5 90.32 0.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 72.15 112.487 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.628 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -144.11 115.33 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.01 110.911 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.571 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.5 p -117.53 149.38 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 61.42 111.152 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 56.3 m -137.57 145.78 43.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -92.88 54.91 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.32 110.815 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.69 -93.59 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 43.44 112.466 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 m -125.35 176.11 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 71.11 110.849 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -40.1 51.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 73.32 111.173 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.34 -39.42 60.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.13 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.5 -30.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.42 111.145 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.25 81.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 61.41 111.136 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -80.73 -26.72 37.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 64.15 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 t -53.12 -38.44 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.872 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.11 -62.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.855 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.628 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.82 -169.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.915 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -167.25 -63.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 53.04 111.112 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.34 170.41 36.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 73.13 112.471 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -32.55 18.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.22 . . . . 72.24 112.354 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.65 24.06 13.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 64.14 111.104 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -120.97 134.15 55.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.871 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -105.65 115.82 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 64.55 110.825 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 17' ' ' ALA . 60.5 t -132.13 118.52 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 61.14 111.163 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.1 111.92 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 70.22 112.526 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -78.77 114.05 17.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 73.2 110.899 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.0 m -123.53 116.2 22.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 63.41 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.36 -123.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 52.45 112.502 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -120.62 55.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 74.41 110.881 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -106.53 -31.22 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 41.2 110.878 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.78 176.18 25.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 50.31 112.51 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.24 -35.87 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 73.21 111.121 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.29 -54.06 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 52.23 111.145 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.72 -46.16 74.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 65.55 111.171 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -30.07 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.888 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -82.34 -44.81 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 54.13 110.836 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.17 -39.31 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.08 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.571 ' O ' HG11 ' A' ' 4' ' ' VAL . 6.6 m-80 -64.92 -60.72 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.865 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.95 -26.35 47.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 71.24 111.092 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -69.87 -30.5 67.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 64.22 110.901 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 36' ' ' ALA . 55.6 t -78.03 -33.49 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.44 111.116 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.28 -51.9 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.072 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -29.6 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.878 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.9 m -86.38 -37.76 18.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 51.31 111.143 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.43 111.11 179.849 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.783 0.325 . . . . 74.54 110.94 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.76 88.89 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 65.13 112.489 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.625 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -146.1 115.53 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 75.41 110.881 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.504 HG11 ' O ' ' A' ' 37' ' ' ASN . 13.0 p -121.62 149.87 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 70.51 111.114 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.3 m -138.31 148.08 44.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 53.12 110.874 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -91.41 51.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 60.45 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.42 -106.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 51.23 112.456 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -108.97 174.5 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 74.13 110.873 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.8 m -78.74 -28.28 44.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 43.24 111.158 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.17 77.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 72.03 111.123 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.51 -29.59 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.134 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 63.32 111.139 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -78.58 -26.57 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 70.3 110.885 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -53.9 -30.18 45.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 63.53 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -62.83 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.864 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.625 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER 51.88 -169.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.896 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -169.93 -48.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.087 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.25 174.69 28.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 73.03 112.464 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -41.72 4.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 74.21 112.36 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.81 24.03 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 63.11 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -118.17 137.92 52.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.914 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.0 m -113.55 123.69 50.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 72.45 110.881 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 17' ' ' ALA . 87.1 t -137.22 114.75 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 64.52 111.097 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.97 117.73 5.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 62.13 112.469 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.67 107.79 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.912 0.387 . . . . 73.51 110.93 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.6 m -122.16 106.58 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 64.53 110.859 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.78 -144.71 0.29 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 45.53 112.498 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -94.86 51.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 53.11 110.885 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -99.33 -63.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.86 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.67 -161.99 25.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 65.11 112.503 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.4 t -93.33 -39.43 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 75.21 111.108 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.8 t -53.71 -51.12 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 41.42 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -46.94 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.22 111.162 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -30.13 23.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.85 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -83.0 -41.05 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.893 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.59 -48.26 77.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 53.21 111.115 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' O ' HG11 ' A' ' 4' ' ' VAL . 6.5 m120 -60.24 -57.96 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 62.42 110.901 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.97 -25.22 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.066 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -71.16 -33.39 69.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 73.24 110.859 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.29 -30.18 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.23 111.136 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.38 -51.87 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 63.12 111.108 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -31.23 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.907 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.3 m -86.01 -35.54 20.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.12 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 75.22 111.096 179.907 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.777 0.322 . . . . 71.32 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.75 101.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 74.24 112.493 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.653 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -143.11 116.33 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 42.3 110.898 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -124.0 148.91 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.083 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.2 m -137.35 143.6 42.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.52 110.897 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -89.41 60.37 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 60.54 110.856 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.75 -95.22 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.712 -0.756 . . . . 63.44 112.454 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.08 173.91 6.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.977 0.418 . . . . 62.51 110.829 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 p -78.45 -33.66 48.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 61.4 111.14 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.27 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 52.12 111.074 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -81.55 -29.18 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 64.15 111.09 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.17 83.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 62.25 111.11 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -79.98 -26.54 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.01 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 t -52.24 -37.58 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.837 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.97 -61.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.825 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.653 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.8 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 52.12 110.897 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -161.05 -66.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.102 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.69 171.28 30.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 62.44 112.507 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -26.17 27.84 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 64.32 112.304 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.46 24.06 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.11 111.108 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -134.77 135.95 42.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.898 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.9 m -112.39 119.68 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 17' ' ' ALA . 58.7 t -129.54 135.52 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 44.24 111.104 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.2 110.85 0.94 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 41.53 112.524 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -72.86 115.89 12.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.934 0.397 . . . . 72.23 110.92 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.6 m -117.26 -55.42 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 44.14 110.896 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.99 -144.21 17.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 62.33 112.496 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -99.05 31.89 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 55.32 110.902 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -81.2 -48.57 11.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 42.3 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 165.63 -172.67 41.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 24.12 112.508 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.57 -45.16 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 73.01 111.136 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -52.2 -53.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 65.1 111.116 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -47.75 71.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 61.32 111.119 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -52.01 -30.12 23.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 74.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -82.98 -44.15 15.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 54.23 110.896 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.98 -46.38 64.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.42 111.12 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -65.06 -54.88 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.903 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.85 38.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 52.41 111.091 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.07 -31.14 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.902 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.6 t -77.73 -34.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.53 111.133 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.15 -51.04 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.078 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -28.98 26.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 70.43 110.902 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.1 m -83.72 -36.54 23.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 73.13 111.158 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 63.22 111.091 179.858 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.0 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.784 0.326 . . . . 74.32 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.455 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -111.69 99.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 64.41 112.48 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.658 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -146.79 114.27 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 73.4 110.892 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 p -122.76 148.94 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 52.12 111.134 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.7 m -136.07 146.6 47.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -94.32 64.81 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 55.54 110.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.21 -90.33 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.771 -0.728 . . . . 63.01 112.487 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.91 172.11 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.972 0.415 . . . . 72.13 110.848 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.63 -31.35 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 75.15 111.115 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.53 83.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.4 111.113 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.76 -29.71 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.178 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -47.54 85.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 74.43 111.094 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -80.26 -26.57 38.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 63.42 110.927 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 t -52.24 -41.96 63.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 43.11 110.811 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.42 -62.21 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.822 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.658 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.82 -169.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 73.43 110.868 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -160.14 -62.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 61.13 111.105 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.71 173.87 27.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 71.12 112.46 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.65 16.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 65.13 112.335 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.67 24.03 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 65.32 111.084 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -134.44 136.28 43.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.969 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.8 m -113.39 128.72 56.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 53.2 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 17' ' ' ALA . 46.9 t -140.45 135.68 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 72.41 111.117 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.05 111.38 1.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 70.22 112.485 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -80.87 106.04 12.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.387 . . . . 75.22 110.919 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.7 m -100.93 -41.41 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 55.05 110.875 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.26 -113.88 3.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 72.52 112.437 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -131.98 96.81 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 53.42 110.866 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -153.27 -59.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 70.12 110.855 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.01 172.07 42.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 74.23 112.511 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.99 -40.99 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 75.24 111.114 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.29 -52.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 72.2 111.154 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -48.15 76.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 73.01 111.163 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -31.13 28.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 65.13 110.916 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -82.93 -43.85 16.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.918 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.91 -43.13 63.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.5 111.113 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -65.81 -55.79 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 63.03 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.11 -25.41 45.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 61.21 111.148 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -70.89 -32.91 70.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 36' ' ' ALA . 37.6 t -77.94 -31.65 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.079 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.83 -50.87 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.13 111.137 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -31.17 27.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.941 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.1 m -81.43 -36.56 29.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 65.11 111.145 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.455 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 70.4 111.089 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.85 0.357 . . . . 75.22 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.58 98.71 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 55.41 112.5 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.652 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.51 114.76 8.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 54.01 110.889 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.1 p -120.03 148.34 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.22 111.099 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 m -138.87 145.3 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 32.32 110.896 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -89.24 68.88 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.81 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.92 -79.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 73.21 112.472 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.83 174.35 10.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 73.02 110.887 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.9 m -75.43 -38.83 59.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 63.12 111.13 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.77 -40.44 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.118 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.4 -28.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 61.42 111.185 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.87 86.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.124 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -79.1 -27.03 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 63.02 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -52.23 -39.85 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 62.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -90.52 -60.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 72.43 110.858 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.652 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.8 -169.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.896 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -163.93 -57.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 35.33 111.14 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.93 170.15 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 73.14 112.458 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -24.23 29.93 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 71.44 112.348 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.19 24.07 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 41.21 111.133 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -138.46 134.92 34.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.875 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.7 m -110.89 130.82 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 74.02 110.896 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 17' ' ' ALA . 51.9 t -139.24 138.45 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.51 111.09 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.32 110.39 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 74.23 112.485 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -87.78 106.33 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.909 0.385 . . . . 71.41 110.931 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.0 p -154.98 120.12 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.886 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.86 165.1 30.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 52.31 112.471 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.21 26.55 16.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 64.2 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -132.12 -72.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.843 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.67 160.04 25.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 41.24 112.53 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.1 t -57.53 -40.45 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 63.22 111.12 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.94 -52.23 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 72.15 111.104 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -48.89 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 70.14 111.138 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -31.34 29.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.847 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -83.0 -42.46 17.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.891 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.79 -50.42 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.2 111.097 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -55.47 -55.53 30.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.891 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.86 -25.6 43.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.32 111.104 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -32.32 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 54.43 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -77.78 -33.8 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 72.12 111.114 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.32 -51.08 8.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 71.51 111.08 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -31.02 28.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.914 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.0 m -86.92 -36.1 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 43.04 111.165 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.2 111.071 179.871 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.339 . . . . 75.11 110.952 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.46 95.86 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 63.32 112.468 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.617 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -136.35 115.04 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 71.22 110.901 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.469 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.2 p -118.96 150.61 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 70.43 111.116 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 56.2 m -138.44 149.84 45.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 45.03 110.83 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -95.68 54.81 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.889 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.26 -100.62 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 63.25 112.475 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.16 172.37 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 71.13 110.882 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -30.12 48.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 75.44 111.129 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -35.01 79.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 61.41 111.068 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -82.99 -28.71 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 51.3 111.1 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.95 83.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.101 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -79.55 -26.86 41.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 60.31 110.852 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -52.63 -30.59 32.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 55.34 110.877 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.99 -62.28 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 73.34 110.854 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.617 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.88 -169.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.862 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.529 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -168.47 -65.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.05 111.106 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.87 172.9 31.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 23.34 112.448 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -38.88 7.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 75.21 112.351 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.79 24.05 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 63.02 111.123 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -131.27 137.1 48.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.892 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.3 m -115.05 114.7 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 64.33 110.908 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 17' ' ' ALA . 46.8 t -122.51 138.81 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.51 111.14 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.71 107.79 0.78 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.759 . . . . 51.55 112.457 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.89 113.41 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 71.05 110.929 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.5 m -121.9 102.44 8.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 44.3 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.66 -142.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 72.42 112.527 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -86.65 55.05 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 74.4 110.877 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -104.56 -59.72 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 65.43 110.906 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.31 -175.14 36.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 45.14 112.461 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.8 t -69.71 -38.71 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 70.31 111.115 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -53.29 -55.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 70.52 111.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -45.83 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 63.05 111.171 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -52.01 -31.69 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.869 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.04 -44.76 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.3 110.92 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.43 -40.7 71.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 70.24 111.111 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' HG11 ' A' ' 4' ' ' VAL . 10.2 m-80 -64.3 -57.89 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 62.41 110.91 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.32 -25.28 48.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.093 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -70.53 -32.13 69.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 71.34 110.928 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 36' ' ' ALA . 24.6 t -77.8 -30.19 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 74.22 111.143 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.35 -51.84 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.52 111.078 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -52.69 -29.66 27.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.3 m -91.54 -25.31 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.42 111.174 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 71.23 111.087 179.841 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.824 0.345 . . . . 71.42 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.96 104.02 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.688 -0.767 . . . . 60.42 112.437 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.652 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -139.54 116.01 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.37 . . . . 72.01 110.874 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.4 p -113.42 148.57 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.31 111.149 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.2 m -139.15 150.08 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 63.12 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -91.08 57.16 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 71.15 110.822 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.74 -96.62 0.1 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 60.23 112.481 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.07 176.11 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 64.45 110.873 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.68 -38.22 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 54.41 111.122 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.68 -36.94 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 53.21 111.097 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -82.54 -30.15 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 70.31 111.105 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.81 80.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.101 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -78.22 -26.89 47.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 70.21 110.876 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.7 t -52.93 -29.65 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 70.01 110.823 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.22 -62.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.848 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.652 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.7 t-20 51.84 -169.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.894 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.514 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -160.69 -63.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.22 111.076 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.59 177.62 28.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 71.44 112.494 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -32.84 17.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 72.54 112.33 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.97 24.05 12.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.24 111.133 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -136.75 155.67 49.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.926 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.4 m -136.18 135.4 39.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.22 110.867 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.514 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 66.7 t -135.67 132.56 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 75.42 111.158 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.94 104.32 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 53.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -52.5 110.85 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.901 0.381 . . . . 74.34 110.932 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.7 m -134.78 97.56 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 65.35 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.96 -117.12 0.47 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 50.22 112.477 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.97 45.89 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 72.22 110.899 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -96.47 -33.41 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.84 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.61 153.4 5.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 74.14 112.516 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -52.2 -40.93 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.359 . . . . 71.41 111.102 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.6 t -52.02 -51.57 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.109 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -47.27 76.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 65.51 111.109 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -52.01 -31.79 31.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -82.99 -43.32 16.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 62.01 110.903 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.52 -46.03 77.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.15 111.088 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.28 -56.23 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.94 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.79 -25.59 42.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 65.04 111.082 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -71.28 -33.79 70.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.862 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 36' ' ' ALA . 38.9 t -77.93 -29.95 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 71.44 111.109 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.92 -51.91 6.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 53.42 111.102 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.5 -30.99 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 65.42 110.906 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.9 p -86.48 -38.18 17.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.12 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 53.43 111.097 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.81 0.338 . . . . 75.45 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.6 88.9 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 51.31 112.483 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.654 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -151.1 118.37 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 73.43 110.895 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.9 p -119.58 148.33 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 62.21 111.133 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 m -138.45 147.43 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.855 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 t -88.2 63.84 7.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 64.24 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.68 -81.7 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 43.21 112.465 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.17 177.81 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.398 . . . . 74.25 110.885 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -39.68 35.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 71.21 111.139 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.69 62.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.24 111.094 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.74 -28.82 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 44.11 111.132 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.21 86.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 24.03 111.128 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -78.93 -26.17 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.924 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -52.88 -31.27 38.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.876 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.48 -61.44 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.654 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.6 t-20 51.83 -169.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.496 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -161.97 -56.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.13 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.2 172.5 23.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 51.55 112.509 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -39.22 6.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.273 . . . . 64.33 112.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.88 24.06 6.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 62.14 111.076 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -131.06 164.75 24.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.11 110.901 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.5 m -141.9 127.23 18.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.909 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 ' HB2' ' A' ' 17' ' ' ALA . 86.3 t -133.96 132.15 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 70.54 111.173 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.16 113.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 63.13 112.467 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -69.51 126.02 28.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.951 0.405 . . . . 51.44 110.904 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.9 m -138.62 102.12 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 70.04 110.862 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.83 -131.25 0.34 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 75.4 112.522 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -95.77 48.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 63.22 110.909 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -99.74 -38.04 8.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 72.01 110.862 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.1 168.41 11.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 40.44 112.482 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.15 -31.53 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.23 111.104 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.09 -56.34 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 74.55 111.084 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -53.62 -45.01 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 73.42 111.147 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -32.62 35.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 70.22 110.826 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -82.97 -45.37 14.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.929 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.35 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 45.41 111.123 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -63.65 -54.85 29.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.16 -25.69 47.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.094 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -70.7 -32.33 69.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.938 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.5 t -77.61 -32.68 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 72.12 111.127 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.52 -51.63 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.111 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -29.75 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 74.33 110.877 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -87.01 -39.6 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.123 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 41.43 111.067 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.9 m0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.829 0.347 . . . . 73.5 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.17 105.45 0.66 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.752 . . . . 73.12 112.449 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.65 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -147.46 118.75 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 75.13 110.87 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' ' 37' ' ' ASN . 11.8 p -126.86 150.43 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.44 111.115 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 m -138.24 142.56 39.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 74.04 110.843 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -80.71 72.66 7.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.863 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.48 -85.16 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.745 -0.741 . . . . 72.21 112.484 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -137.44 175.24 9.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.972 0.415 . . . . 71.43 110.853 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 p -76.54 -39.95 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 63.02 111.101 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.97 -38.84 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 55.54 111.043 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.89 -29.38 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.071 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.39 -50.2 70.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 74.21 111.065 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -72.69 -26.26 61.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.87 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -53.35 -31.29 43.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.8 -60.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.868 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 1.65 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 t-20 51.82 -169.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.869 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.33 -54.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.093 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.24 170.56 17.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 43.51 112.525 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -32.23 19.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.241 . . . . 75.33 112.359 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.66 23.99 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.109 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -137.55 139.02 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 65.32 110.928 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.8 m -116.19 120.85 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 70.21 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.9 t -132.63 115.5 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 62.04 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.23 99.23 1.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 60.5 112.513 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -82.35 110.74 17.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.953 0.406 . . . . 72.11 110.962 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.6 m -104.11 -61.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 73.05 110.885 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.85 -102.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 70.54 112.47 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -145.0 32.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 74.13 110.883 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -84.79 -27.38 26.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 72.04 110.898 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.24 167.02 11.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 64.51 112.494 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.96 -43.49 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 65.05 111.1 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.89 -55.55 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 60.43 111.159 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -46.7 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 71.1 111.127 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -52.05 -30.1 24.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 60.3 110.842 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -79.55 -47.5 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 73.04 110.908 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.32 -50.0 63.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.133 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.41 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.8 m-80 -52.22 -57.54 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.855 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -25.28 61.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.073 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -71.8 -33.13 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.04 110.881 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.87 -32.66 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 60.14 111.109 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.5 -51.41 7.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 42.1 111.12 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -51.97 -30.06 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.42 110.866 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.2 m -86.09 -37.02 19.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 73.45 111.176 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 45.22 111.102 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m95 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.803 0.335 . . . . 71.34 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.9 99.56 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.744 . . . . 54.23 112.509 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.648 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -141.13 119.81 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 54.3 110.882 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.42 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.1 p -122.46 150.15 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.22 111.095 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 60.0 m -139.51 144.72 38.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.3 110.915 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -93.56 57.03 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 50.43 110.852 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.51 -90.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.767 . . . . 65.43 112.459 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.11 174.87 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 54.32 110.874 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.77 -38.43 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 51.01 111.138 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.46 -38.68 66.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 44.01 111.076 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.7 p -82.57 -30.35 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.45 111.117 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.77 79.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 75.34 111.153 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -78.95 -26.27 43.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 73.3 110.878 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 t -52.24 -35.83 50.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 51.41 110.857 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.48 -62.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.45 110.846 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.648 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.88 -169.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.891 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.39 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 44.5 111.083 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.77 165.72 11.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 71.4 112.478 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -19.46 36.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 74.53 112.331 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.91 -25.52 18.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 54.13 111.106 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -104.51 153.44 21.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.939 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.8 m -124.15 123.17 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 73.22 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -125.79 139.75 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 72.42 111.105 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.33 96.92 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 41.12 112.453 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -72.5 114.59 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 70.53 110.961 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.9 m -118.17 173.47 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.863 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.55 -131.85 2.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 64.24 112.457 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -108.11 43.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 74.35 110.892 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -97.81 -32.11 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 54.42 110.925 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.66 153.42 6.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.737 . . . . 53.02 112.494 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.88 -39.21 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 65.52 111.095 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.1 t -55.36 -51.15 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 54.03 111.115 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -48.08 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.12 111.129 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -30.16 23.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.865 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -82.33 -45.62 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -53.35 -41.53 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 72.22 111.1 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.5 m-80 -57.33 -60.5 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.946 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.57 -25.35 52.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.098 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -70.4 -31.92 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.89 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 36' ' ' ALA . 41.7 t -77.85 -30.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.104 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.89 -51.58 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 54.24 111.098 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -32.4 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.871 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.9 m -85.72 -34.77 21.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 65.52 111.103 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 62.24 111.086 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.77 0.319 . . . . 74.51 110.941 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.432 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -110.35 91.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 71.23 112.49 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.651 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.05 118.24 12.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 61.5 110.903 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.12 149.23 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.22 111.11 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.5 m -137.94 138.73 39.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 54.2 110.864 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -83.07 69.68 9.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.884 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.32 -94.22 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 54.05 112.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.53 176.4 6.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.944 0.402 . . . . 71.54 110.842 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.8 m -78.1 -37.87 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 71.44 111.149 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.53 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.35 111.105 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.74 -29.13 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 65.22 111.135 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.47 74.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.51 111.11 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -75.0 -27.6 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.916 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.49 -37.28 56.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.886 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.41 -60.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.855 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.651 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.84 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 73.41 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -167.04 -66.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.109 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.23 166.13 15.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 72.12 112.479 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -16.84 37.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 73.11 112.333 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.39 -25.4 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 43.14 111.066 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -104.05 136.53 43.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 75.1 110.907 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -107.98 136.12 48.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 74.24 110.858 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 17' ' ' ALA . 60.3 t -139.62 119.12 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.1 111.125 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.53 98.1 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.712 -0.756 . . . . 41.51 112.504 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.33 112.88 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.932 0.396 . . . . 72.32 110.915 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.4 m -126.71 119.98 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 41.13 110.892 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.32 130.9 3.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 51.21 112.5 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 61.18 39.55 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 74.04 110.927 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -136.62 -57.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 53.31 110.888 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.54 -170.28 24.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 72.12 112.5 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.25 -43.93 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 74.5 111.07 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.05 -55.43 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.31 111.11 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -45.66 80.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.15 111.146 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -52.02 -30.1 23.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 64.2 110.88 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -82.97 -44.33 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 64.12 110.909 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.89 -45.22 67.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 72.13 111.112 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.17 -51.79 62.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.855 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.41 -25.98 60.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 54.13 111.096 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -70.82 -32.86 70.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.925 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.0 t -77.43 -35.71 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 64.22 111.11 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.51 -51.91 8.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 65.04 111.132 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -30.04 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.2 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 m -88.92 -37.4 15.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.183 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.081 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 39.3 m95 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.81 0.338 . . . . 71.24 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.8 88.2 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 64.21 112.511 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.658 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -136.18 114.45 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 72.45 110.885 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.2 p -121.44 149.82 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 62.11 111.133 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.0 m -137.41 147.93 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.22 110.888 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -91.29 58.21 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.838 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.08 -97.46 0.11 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 54.52 112.521 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -118.26 173.9 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.963 0.411 . . . . 74.01 110.859 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -78.34 -34.15 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 74.11 111.146 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.45 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.133 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -81.96 -28.59 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 54.1 111.138 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -48.62 79.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 54.21 111.104 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -80.35 -28.35 38.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 54.14 110.932 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t -53.6 -29.55 38.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 43.35 110.901 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.88 -61.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 73.43 110.835 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.658 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.2 t-20 51.82 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.902 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -163.82 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.14 111.092 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.13 170.64 35.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 64.41 112.455 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -28.61 24.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 30.31 112.314 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.68 24.01 12.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 72.33 111.121 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -120.71 140.07 52.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.93 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.1 m -113.71 117.49 31.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG21 ' HB2' ' A' ' 17' ' ' ALA . 90.4 t -130.05 115.25 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 45.21 111.14 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.98 106.77 1.98 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 64.22 112.513 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -80.46 114.1 19.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.976 0.417 . . . . 70.31 110.938 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.9 m -116.88 127.27 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 44.3 110.887 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.69 -134.33 2.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 64.4 112.524 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -106.03 40.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 42.22 110.845 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -89.3 -43.52 10.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.908 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.27 172.77 24.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.737 . . . . 70.44 112.479 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.38 -38.02 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 63.54 111.087 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -53.26 -52.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 64.42 111.173 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -45.73 75.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 50.41 111.167 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.05 -30.09 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.873 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -82.63 -43.19 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 71.02 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.606 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -56.58 -42.06 78.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 74.1 111.102 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' HG11 ' A' ' 4' ' ' VAL . 6.3 m-80 -62.47 -60.07 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 71.22 110.866 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.84 -25.29 55.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.097 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -71.02 -33.1 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.909 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 36' ' ' ALA . 38.7 t -77.9 -30.02 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.54 111.093 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.34 -51.49 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 54.42 111.087 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -30.02 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 65.12 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.6 p -80.35 -35.36 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 71.2 111.145 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 55.12 111.114 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.7 m95 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.813 0.34 . . . . 74.32 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.78 88.34 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 72.14 112.463 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.656 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -147.97 114.76 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 72.4 110.876 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.452 HG11 ' O ' ' A' ' 37' ' ' ASN . 11.8 p -117.59 150.26 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 70.4 111.165 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 m -140.0 143.51 36.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.913 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 t -88.53 64.55 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.86 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.59 -94.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 73.12 112.51 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.82 174.82 6.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.009 0.433 . . . . 64.01 110.806 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -38.18 42.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 72.23 111.135 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.4 -37.68 67.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.12 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -82.09 -29.58 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 71.43 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.97 -47.0 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.4 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -80.33 -27.86 38.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 50.12 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.2 t -52.85 -34.2 53.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.846 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.91 -62.16 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.861 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.656 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.77 -169.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.895 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -168.2 -53.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 71.42 111.102 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.13 167.61 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.492 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -32.44 18.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 63.13 112.389 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.21 24.07 6.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.101 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -138.46 140.38 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 64.52 110.956 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.4 m -115.14 119.86 37.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.906 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 17' ' ' ALA . 38.2 t -129.51 134.18 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.34 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.42 107.17 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 62.24 112.511 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -78.22 125.27 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.406 . . . . 74.1 110.878 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.4 m -129.04 153.55 47.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 73.31 110.903 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -111.29 -128.41 5.27 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 64.52 112.484 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.93 35.57 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 73.14 110.843 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -86.61 -38.52 17.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 65.33 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.93 159.7 9.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.471 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.8 t -56.26 -39.17 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 73.12 111.112 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -52.7 -54.64 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 70.15 111.132 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -52.74 -48.16 66.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 72.3 111.145 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -30.06 23.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 75.45 110.877 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -82.59 -42.5 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -54.71 -45.71 74.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 60.33 111.106 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' HG11 ' A' ' 4' ' ' VAL . 7.0 m-80 -57.68 -58.55 7.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.911 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.21 -25.82 59.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 63.01 111.1 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -70.18 -30.62 67.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 62.44 110.898 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 36' ' ' ALA . 42.0 t -77.89 -31.76 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 52.14 111.116 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.16 -51.22 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.5 111.084 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -27.15 46.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 62.3 110.904 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.5 m -90.75 -25.6 19.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 71.34 111.125 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 70.43 111.121 179.847 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.854 0.359 . . . . 62.12 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.438 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -104.32 92.88 0.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 73.43 112.484 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.621 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -135.2 114.75 12.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 64.33 110.862 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -120.28 148.29 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 61.41 111.137 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 m -138.92 144.34 39.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 65.23 110.86 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -91.1 56.18 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 54.44 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.0 -98.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 70.03 112.488 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.7 t -118.03 175.89 5.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 52.2 110.904 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.68 -34.24 46.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 61.44 111.123 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.4 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 45.44 111.094 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -81.93 -30.01 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.137 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.22 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 71.33 111.077 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -80.85 -26.59 36.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.83 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 t -52.66 -43.74 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 61.03 110.901 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.49 -60.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.44 110.814 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.621 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER 51.84 -169.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.891 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -167.43 -51.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 62.51 111.12 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.35 171.08 12.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 64.42 112.517 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -28.04 26.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 71.24 112.361 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.45 24.04 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 71.03 111.112 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -150.9 153.7 35.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.895 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.2 m -129.75 130.11 44.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 71.4 110.862 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 61.2 t -133.01 133.65 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.127 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.51 103.27 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 72.33 112.464 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -72.72 106.11 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 74.03 110.909 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -167.9 73.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 60.02 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.17 31.0 3.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 74.12 112.523 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -145.2 33.57 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 75.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -152.15 -61.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.54 175.27 47.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 64.2 112.497 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -71.68 -34.96 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 71.15 111.123 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.18 -56.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 63.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -45.13 78.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 54.03 111.142 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -30.09 23.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.85 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -82.65 -43.13 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 73.35 110.89 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -60.09 -40.22 88.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.55 111.099 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.58 -58.75 5.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.911 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.5 39.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.33 111.121 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -71.09 -33.57 70.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 71.02 110.903 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 36' ' ' ALA . 47.9 t -77.87 -30.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 75.03 111.119 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.72 -51.45 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.3 111.097 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -52.43 -31.32 33.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 65.11 110.849 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 p -79.24 -38.07 36.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 63.34 111.136 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.4 111.089 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 19.8 m95 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.813 0.34 . . . . 74.45 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.59 91.5 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 41.22 112.466 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.603 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.87 115.22 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 72.22 110.85 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -119.71 149.94 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 53.41 111.116 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.5 m -140.3 145.7 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 50.42 110.878 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -85.95 53.72 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.857 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.61 -108.24 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 71.23 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.62 176.22 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.948 0.404 . . . . 71.13 110.834 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 m -78.74 -28.96 44.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.158 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.3 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 64.43 111.07 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -83.74 -30.64 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.104 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.71 -48.23 81.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 42.14 111.107 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -77.63 -26.25 50.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.92 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.0 t -52.76 -30.24 31.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 75.11 110.866 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -98.28 -62.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.852 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.603 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.81 -169.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 53.43 110.906 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -168.71 -40.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 64.24 111.085 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.29 166.52 21.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 64.13 112.5 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -41.12 4.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.257 . . . . 75.11 112.339 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.14 24.07 12.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 52.24 111.087 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -115.15 152.58 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 64.33 110.865 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.5 m -123.94 124.15 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 75.35 110.918 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 17' ' ' ALA . 46.6 t -142.07 145.96 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 62.53 111.145 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.35 117.94 2.53 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.699 -0.762 . . . . 51.25 112.468 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -104.65 112.38 25.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.381 . . . . 63.13 110.949 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 m -113.59 140.18 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.907 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.85 130.48 3.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 72.34 112.459 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 62.88 26.41 15.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 71.13 110.902 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -120.98 -66.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 75.32 110.91 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.04 -161.59 29.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.475 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -86.48 -39.46 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 75.32 111.087 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.5 t -53.36 -63.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 70.13 111.14 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -40.37 81.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 71.32 111.155 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -30.12 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 65.42 110.862 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -82.93 -48.86 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 70.54 110.887 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.79 -35.39 43.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 73.44 111.101 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -52.01 -50.38 61.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.874 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.55 -25.28 59.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.24 111.073 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -70.51 -32.3 69.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 73.34 110.888 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.9 t -77.48 -30.55 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.5 111.122 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.31 -50.92 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 65.03 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD2' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -52.02 -30.17 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 54.41 110.905 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.429 HG23 ' HD2' ' A' ' 42' ' ' LYS . 12.1 p -81.42 -37.01 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 72.13 111.123 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 71.13 111.098 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.785 0.326 . . . . 73.34 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.96 91.14 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 73.24 112.489 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.616 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -153.1 121.09 6.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 72.34 110.884 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.633 HG11 ' O ' ' A' ' 37' ' ' ASN . 13.2 p -119.56 149.96 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.4 111.091 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.7 m -141.23 146.85 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.828 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 p -94.15 59.92 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.862 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.4 -87.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 71.41 112.475 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -131.65 174.27 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 74.1 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 m -76.17 -40.96 51.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 73.21 111.169 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.0 -40.05 60.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 63.44 111.099 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.27 -30.09 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 52.45 111.142 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.86 79.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 50.45 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -78.94 -27.19 43.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.917 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.0 t -52.59 -33.45 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.01 110.895 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.1 -62.26 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 72.23 110.842 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.616 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.8 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.895 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -169.42 -53.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.135 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.64 169.16 23.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 55.51 112.495 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -29.38 23.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 73.03 112.312 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.13 23.96 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.072 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -124.87 136.98 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.936 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.2 m -110.8 115.11 28.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 71.24 110.917 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.576 HG21 ' HB2' ' A' ' 17' ' ' ALA . 48.9 t -127.33 135.52 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.1 111.117 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.1 119.19 2.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 72.04 112.485 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -71.77 120.32 17.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.938 0.399 . . . . 75.13 110.911 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 83.1 m -145.42 142.93 29.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 74.03 110.872 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.82 134.05 1.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 65.42 112.5 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.5 t30 60.41 27.04 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 71.43 110.889 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -127.96 -55.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 70.11 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.5 -168.68 31.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.736 . . . . 51.35 112.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.47 -43.13 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 53.05 111.13 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.1 t -52.29 -56.63 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.5 111.12 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -47.36 73.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 61.32 111.093 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -30.07 24.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 72.13 110.863 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -82.75 -46.33 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 53.43 110.921 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -52.11 -42.05 62.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 75.22 111.099 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.633 ' O ' HG11 ' A' ' 4' ' ' VAL . 4.9 m-80 -62.92 -59.64 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 51.34 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.61 -25.6 53.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 60.45 111.13 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -70.71 -32.44 69.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 71.14 110.877 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 36' ' ' ALA . 59.4 t -77.85 -29.68 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 71.41 111.141 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.84 -51.89 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 64.33 111.118 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -52.46 -31.57 35.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.866 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 83.4 m -86.22 -33.07 20.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 75.31 111.169 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 62.41 111.111 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 75.31 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.73 104.97 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 73.2 112.487 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.638 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -143.97 118.8 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 24.21 110.928 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -121.65 148.23 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.35 111.122 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 m -138.45 140.97 39.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -85.26 54.63 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.05 110.809 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.51 -106.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 74.1 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.1 175.62 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 71.32 110.836 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -78.72 -27.42 44.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 72.24 111.154 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.29 79.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.089 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.02 -28.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.146 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.34 -47.78 82.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 54.51 111.107 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -78.5 -26.24 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 65.23 110.876 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.9 t -52.77 -41.57 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.862 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -90.69 -61.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 74.52 110.837 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.638 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 t-20 51.78 -169.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 55.35 110.867 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.508 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -160.85 -62.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.068 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.62 166.89 12.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 51.21 112.489 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -21.88 33.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 52.15 112.339 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.82 24.03 11.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 63.3 111.065 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -149.19 171.26 16.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.93 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.4 m -143.32 132.98 23.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 74.33 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.508 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 90.0 t -136.8 139.44 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 61.25 111.081 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.39 100.86 0.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 53.13 112.497 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -74.03 115.34 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 73.35 110.906 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.41 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 6.1 p -173.53 55.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 53.22 110.871 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.44 48.94 0.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 61.24 112.483 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -166.69 31.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 74.4 110.9 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -145.68 -51.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.62 -168.96 41.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 65.12 112.453 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.5 t -83.63 -42.62 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 50.33 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -54.09 -53.36 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 54.25 111.126 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -48.09 76.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 64.23 111.112 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -52.06 -30.07 24.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.86 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.87 -42.84 17.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.893 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.3 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.109 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 26' ' ' CYS . 10.6 m-80 -65.79 -56.03 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.53 39.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 52.2 111.097 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -71.05 -33.42 70.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 55.44 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.57 -29.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 61.54 111.111 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.31 -51.88 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 61.22 111.135 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -52.52 -32.04 38.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.891 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.2 m -86.89 -32.67 20.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 73.1 111.164 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.33 111.098 179.863 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.871 0.367 . . . . 74.22 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.17 92.56 0.65 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 41.5 112.483 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.657 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -153.43 114.89 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 73.33 110.912 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.462 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.5 p -119.17 149.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 74.02 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.6 m -139.94 145.54 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 53.13 110.897 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -88.32 72.97 8.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 65.33 110.862 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.31 -88.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 64.21 112.53 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -130.81 172.69 11.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.995 0.426 . . . . 73.12 110.828 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -77.22 -33.43 56.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 73.35 111.099 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.35 76.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 63.1 111.105 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.99 -28.97 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.32 111.109 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.85 81.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 62.24 111.113 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -78.39 -27.02 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.918 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -52.13 -30.6 27.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 52.12 110.831 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.82 -60.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 70.13 110.88 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.657 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.5 t-20 51.8 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 51.53 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -167.0 -54.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 70.43 111.093 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.75 167.97 16.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.77 . . . . 71.12 112.477 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -29.08 24.47 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.617 2.211 . . . . 64.01 112.381 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.15 24.03 10.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 63.1 111.105 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -136.49 142.28 43.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.922 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.8 m -116.85 119.11 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.871 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 17' ' ' ALA . 61.1 t -129.52 117.88 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.099 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.85 104.92 1.82 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 32.13 112.461 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.84 115.39 10.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.936 0.398 . . . . 74.24 110.961 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.4 m -126.74 117.27 22.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.14 -134.76 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 54.34 112.519 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -101.24 36.38 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 62.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -85.69 -31.27 22.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.862 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.58 -163.36 29.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.9 t -94.22 -35.5 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 70.33 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.22 -51.35 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 64.11 111.079 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -45.73 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.34 111.088 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.04 -30.05 23.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 72.11 110.892 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -82.26 -48.16 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 63.12 110.872 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.43 -48.31 68.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 54.23 111.08 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.462 ' O ' HG11 ' A' ' 4' ' ' VAL . 9.2 m-80 -53.48 -58.03 8.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 63.43 110.878 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.51 -25.66 52.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 73.02 111.087 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -70.75 -32.78 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.906 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.9 -29.95 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 72.22 111.103 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.51 -51.46 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 53.32 111.123 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -32.1 39.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 55.23 110.877 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 m -88.54 -30.43 19.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 64.24 111.116 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 50.41 111.092 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.3 m95 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.828 0.347 . . . . 64.23 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.74 90.63 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 44.32 112.483 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.647 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -144.29 115.01 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 73.02 110.885 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.2 p -123.28 148.72 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 54.53 111.107 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.4 m -137.33 142.86 41.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.911 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -85.61 74.01 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.842 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.45 -92.09 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 72.1 112.471 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.77 177.38 6.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 54.01 110.882 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 m -78.74 -38.91 37.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 75.4 111.144 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.4 -37.2 62.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 43.31 111.099 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.17 -29.4 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 71.12 111.09 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.13 67.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 61.32 111.129 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -73.42 -26.38 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.4 110.901 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -41.72 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.898 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -91.5 -61.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 74.33 110.832 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.647 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.78 -169.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 65.32 110.854 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -158.54 -66.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 54.13 111.087 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.05 179.11 39.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.682 -0.77 . . . . 61.31 112.46 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -37.7 8.79 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.712 2.275 . . . . 72.1 112.354 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.1 24.02 13.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 74.35 111.11 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -125.64 134.19 51.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.912 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.5 m -111.87 134.15 53.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 44.41 110.911 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 65.5 t -143.44 117.88 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 71.15 111.096 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.44 114.08 4.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 43.43 112.492 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -75.13 106.43 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 71.22 110.941 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 83.5 m -121.9 106.55 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 52.33 110.874 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.68 -128.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.706 -0.759 . . . . 62.34 112.474 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -96.36 26.45 4.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 74.34 110.916 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -75.24 -34.16 61.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.871 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.65 -161.84 22.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 35.21 112.476 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -85.4 -28.19 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 63.54 111.152 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.1 t -55.24 -66.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 64.21 111.139 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -38.52 74.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.152 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -52.0 -30.15 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.826 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -82.7 -49.07 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.879 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.75 -40.99 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 75.2 111.13 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.79 -58.04 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.95 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.19 -25.43 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 60.41 111.085 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -71.14 -33.59 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 70.44 110.905 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 36' ' ' ALA . 49.2 t -77.97 -29.92 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.51 111.111 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.17 -51.38 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 34.53 111.089 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -52.13 -31.82 32.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.53 110.86 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -86.14 -40.74 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.184 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 60.53 111.076 179.856 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.807 0.337 . . . . 74.41 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.496 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -105.23 99.26 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 64.33 112.464 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.652 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -149.53 114.48 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 71.01 110.855 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.5 148.27 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 72.3 111.127 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 m -136.19 148.07 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 64.31 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -87.08 68.99 10.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.901 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.02 -91.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 72.1 112.483 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -128.25 176.82 7.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 71.33 110.843 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -39.98 34.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 73.34 111.15 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.69 -37.09 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 54.12 111.101 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.01 -29.62 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 64.44 111.101 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.81 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.41 111.144 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.21 -26.44 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 72.52 110.896 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -52.25 -34.15 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.1 110.874 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.38 -61.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 61.23 110.823 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.652 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.78 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 52.32 110.901 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.74 -63.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 63.34 111.092 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.84 174.67 40.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.04 112.459 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -35.5 12.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 64.14 112.323 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.58 24.03 13.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 62.44 111.091 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -120.51 158.24 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.891 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 82.3 m -133.96 134.64 42.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 72.34 110.844 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.22 119.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.2 111.127 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.35 102.59 1.84 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 73.14 112.477 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -91.35 110.76 22.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.909 0.385 . . . . 63.11 110.963 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.0 p -167.26 118.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 70.21 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.71 34.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 65.43 112.498 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -138.41 28.99 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 64.23 110.866 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -149.05 -65.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.861 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.58 176.68 44.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 72.35 112.462 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.45 -37.79 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 64.42 111.158 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.75 -51.81 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 65.34 111.173 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -49.21 76.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 45.42 111.168 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -30.11 24.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.816 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -82.86 -51.79 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.853 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.15 -32.51 36.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.082 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.65 -54.18 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.07 -25.23 44.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 64.01 111.062 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -71.59 -34.57 70.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.85 -29.52 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 72.32 111.159 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.1 -51.81 6.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.25 111.114 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -52.38 -32.03 36.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 71.44 110.87 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.8 p -81.73 -34.3 30.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 52.51 111.141 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.41 111.077 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 22.3 p-90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.866 0.365 . . . . 73.35 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.5 90.32 0.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 72.15 112.487 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.628 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -144.11 115.33 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.01 110.911 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.571 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.5 p -117.53 149.38 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 61.42 111.152 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 56.3 m -137.57 145.78 43.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -92.88 54.91 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.32 110.815 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.69 -93.59 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 43.44 112.466 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 m -125.35 176.11 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 71.11 110.849 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -40.1 51.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 73.32 111.173 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.34 -39.42 60.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.13 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.5 -30.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.42 111.145 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.25 81.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 61.41 111.136 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -80.73 -26.72 37.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 64.15 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 t -53.12 -38.44 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.872 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.11 -62.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.855 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.628 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.82 -169.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.915 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -167.25 -63.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 53.04 111.112 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.34 170.41 36.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 73.13 112.471 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -32.55 18.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.22 . . . . 72.24 112.354 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.65 24.06 13.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 64.14 111.104 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -120.97 134.15 55.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.871 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -105.65 115.82 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 64.55 110.825 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 17' ' ' ALA . 60.5 t -132.13 118.52 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 61.14 111.163 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.1 111.92 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 70.22 112.526 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -78.77 114.05 17.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 73.2 110.899 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.0 m -123.53 116.2 22.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 63.41 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.36 -123.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 52.45 112.502 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -120.62 55.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 74.41 110.881 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -106.53 -31.22 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 41.2 110.878 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.78 176.18 25.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 50.31 112.51 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.24 -35.87 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 73.21 111.121 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.29 -54.06 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 52.23 111.145 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.72 -46.16 74.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 65.55 111.171 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -30.07 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.888 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -82.34 -44.81 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 54.13 110.836 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.17 -39.31 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.08 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.571 ' O ' HG11 ' A' ' 4' ' ' VAL . 6.6 m-80 -64.92 -60.72 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.865 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.95 -26.35 47.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 71.24 111.092 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -69.87 -30.5 67.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 64.22 110.901 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 36' ' ' ALA . 55.6 t -78.03 -33.49 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.44 111.116 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.28 -51.9 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.072 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -29.6 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.878 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.9 m -86.38 -37.76 18.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 51.31 111.143 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.43 111.11 179.849 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.783 0.325 . . . . 74.54 110.94 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.76 88.89 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 65.13 112.489 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.625 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -146.1 115.53 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 75.41 110.881 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.504 HG11 ' O ' ' A' ' 37' ' ' ASN . 13.0 p -121.62 149.87 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 70.51 111.114 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.3 m -138.31 148.08 44.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 53.12 110.874 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -91.41 51.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 60.45 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.42 -106.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 51.23 112.456 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -108.97 174.5 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 74.13 110.873 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.8 m -78.74 -28.28 44.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 43.24 111.158 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.17 77.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 72.03 111.123 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.51 -29.59 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.134 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 63.32 111.139 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -78.58 -26.57 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 70.3 110.885 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -53.9 -30.18 45.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 63.53 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -62.83 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.864 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.625 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER 51.88 -169.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.896 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -169.93 -48.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.087 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.25 174.69 28.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 73.03 112.464 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -41.72 4.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 74.21 112.36 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.81 24.03 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 63.11 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -118.17 137.92 52.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.914 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.0 m -113.55 123.69 50.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 72.45 110.881 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 17' ' ' ALA . 87.1 t -137.22 114.75 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 64.52 111.097 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.97 117.73 5.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 62.13 112.469 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.67 107.79 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.912 0.387 . . . . 73.51 110.93 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.6 m -122.16 106.58 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 64.53 110.859 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.78 -144.71 0.29 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 45.53 112.498 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -94.86 51.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 53.11 110.885 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -99.33 -63.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.86 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.67 -161.99 25.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 65.11 112.503 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.4 t -93.33 -39.43 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 75.21 111.108 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.8 t -53.71 -51.12 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 41.42 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -46.94 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.22 111.162 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -30.13 23.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.85 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -83.0 -41.05 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.893 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.59 -48.26 77.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 53.21 111.115 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' O ' HG11 ' A' ' 4' ' ' VAL . 6.5 m120 -60.24 -57.96 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 62.42 110.901 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.97 -25.22 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.066 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -71.16 -33.39 69.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 73.24 110.859 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.29 -30.18 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.23 111.136 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.38 -51.87 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 63.12 111.108 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -31.23 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.907 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.3 m -86.01 -35.54 20.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.12 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 75.22 111.096 179.907 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.777 0.322 . . . . 71.32 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.75 101.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 74.24 112.493 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.653 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -143.11 116.33 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 42.3 110.898 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -124.0 148.91 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.083 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.2 m -137.35 143.6 42.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.52 110.897 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -89.41 60.37 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 60.54 110.856 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.75 -95.22 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.712 -0.756 . . . . 63.44 112.454 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.08 173.91 6.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.977 0.418 . . . . 62.51 110.829 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 p -78.45 -33.66 48.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 61.4 111.14 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.27 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 52.12 111.074 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -81.55 -29.18 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 64.15 111.09 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.17 83.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 62.25 111.11 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -79.98 -26.54 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.01 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 t -52.24 -37.58 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.837 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.97 -61.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.825 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.653 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.8 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 52.12 110.897 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -161.05 -66.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.102 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.69 171.28 30.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 62.44 112.507 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -26.17 27.84 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 64.32 112.304 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.46 24.06 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.11 111.108 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -134.77 135.95 42.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.898 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.9 m -112.39 119.68 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 17' ' ' ALA . 58.7 t -129.54 135.52 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 44.24 111.104 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.2 110.85 0.94 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 41.53 112.524 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -72.86 115.89 12.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.934 0.397 . . . . 72.23 110.92 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.6 m -117.26 -55.42 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 44.14 110.896 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.99 -144.21 17.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 62.33 112.496 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -99.05 31.89 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 55.32 110.902 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -81.2 -48.57 11.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 42.3 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 165.63 -172.67 41.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 24.12 112.508 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.57 -45.16 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 73.01 111.136 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -52.2 -53.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 65.1 111.116 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -47.75 71.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 61.32 111.119 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -52.01 -30.12 23.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 74.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -82.98 -44.15 15.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 54.23 110.896 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.98 -46.38 64.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.42 111.12 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -65.06 -54.88 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.903 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.85 38.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 52.41 111.091 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.07 -31.14 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.902 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.6 t -77.73 -34.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.53 111.133 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.15 -51.04 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.078 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -28.98 26.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 70.43 110.902 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.1 m -83.72 -36.54 23.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 73.13 111.158 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 63.22 111.091 179.858 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.0 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.784 0.326 . . . . 74.32 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.455 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -111.69 99.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 64.41 112.48 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.658 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -146.79 114.27 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 73.4 110.892 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 p -122.76 148.94 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 52.12 111.134 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.7 m -136.07 146.6 47.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -94.32 64.81 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 55.54 110.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.21 -90.33 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.771 -0.728 . . . . 63.01 112.487 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.91 172.11 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.972 0.415 . . . . 72.13 110.848 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.63 -31.35 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 75.15 111.115 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.53 83.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.4 111.113 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.76 -29.71 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.178 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -47.54 85.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 74.43 111.094 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -80.26 -26.57 38.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 63.42 110.927 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 t -52.24 -41.96 63.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 43.11 110.811 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.42 -62.21 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.822 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.658 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.82 -169.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 73.43 110.868 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -160.14 -62.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 61.13 111.105 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.71 173.87 27.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 71.12 112.46 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.65 16.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 65.13 112.335 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.67 24.03 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 65.32 111.084 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -134.44 136.28 43.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.969 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.8 m -113.39 128.72 56.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 53.2 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 17' ' ' ALA . 46.9 t -140.45 135.68 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 72.41 111.117 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.05 111.38 1.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 70.22 112.485 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -80.87 106.04 12.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.387 . . . . 75.22 110.919 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.7 m -100.93 -41.41 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 55.05 110.875 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.26 -113.88 3.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 72.52 112.437 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -131.98 96.81 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 53.42 110.866 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -153.27 -59.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 70.12 110.855 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.01 172.07 42.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 74.23 112.511 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.99 -40.99 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 75.24 111.114 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.29 -52.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 72.2 111.154 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -48.15 76.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 73.01 111.163 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -31.13 28.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 65.13 110.916 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -82.93 -43.85 16.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.918 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.91 -43.13 63.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.5 111.113 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -65.81 -55.79 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 63.03 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.11 -25.41 45.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 61.21 111.148 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -70.89 -32.91 70.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 36' ' ' ALA . 37.6 t -77.94 -31.65 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.079 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.83 -50.87 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.13 111.137 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -31.17 27.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.941 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.1 m -81.43 -36.56 29.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 65.11 111.145 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.455 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 70.4 111.089 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.85 0.357 . . . . 75.22 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.58 98.71 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 55.41 112.5 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.652 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.51 114.76 8.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 54.01 110.889 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.1 p -120.03 148.34 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.22 111.099 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 m -138.87 145.3 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 32.32 110.896 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -89.24 68.88 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.81 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.92 -79.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 73.21 112.472 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.83 174.35 10.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 73.02 110.887 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.9 m -75.43 -38.83 59.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 63.12 111.13 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.77 -40.44 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.118 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.4 -28.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 61.42 111.185 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.87 86.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.124 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -79.1 -27.03 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 63.02 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -52.23 -39.85 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 62.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -90.52 -60.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 72.43 110.858 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.652 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.8 -169.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.896 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -163.93 -57.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 35.33 111.14 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.93 170.15 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 73.14 112.458 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -24.23 29.93 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 71.44 112.348 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.19 24.07 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 41.21 111.133 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -138.46 134.92 34.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.875 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.7 m -110.89 130.82 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 74.02 110.896 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 17' ' ' ALA . 51.9 t -139.24 138.45 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.51 111.09 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.32 110.39 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 74.23 112.485 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -87.78 106.33 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.909 0.385 . . . . 71.41 110.931 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.0 p -154.98 120.12 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.886 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.86 165.1 30.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 52.31 112.471 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.21 26.55 16.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 64.2 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -132.12 -72.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.843 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.67 160.04 25.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 41.24 112.53 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.1 t -57.53 -40.45 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 63.22 111.12 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.94 -52.23 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 72.15 111.104 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -48.89 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 70.14 111.138 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -31.34 29.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.847 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -83.0 -42.46 17.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.891 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.79 -50.42 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.2 111.097 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -55.47 -55.53 30.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.891 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.86 -25.6 43.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.32 111.104 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -32.32 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 54.43 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -77.78 -33.8 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 72.12 111.114 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.32 -51.08 8.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 71.51 111.08 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -31.02 28.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.914 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.0 m -86.92 -36.1 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 43.04 111.165 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.2 111.071 179.871 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.339 . . . . 75.11 110.952 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.46 95.86 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 63.32 112.468 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.617 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -136.35 115.04 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 71.22 110.901 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.469 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.2 p -118.96 150.61 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 70.43 111.116 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 56.2 m -138.44 149.84 45.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 45.03 110.83 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -95.68 54.81 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.889 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.26 -100.62 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 63.25 112.475 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.16 172.37 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 71.13 110.882 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -30.12 48.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 75.44 111.129 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -35.01 79.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 61.41 111.068 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -82.99 -28.71 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 51.3 111.1 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.95 83.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.101 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -79.55 -26.86 41.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 60.31 110.852 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -52.63 -30.59 32.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 55.34 110.877 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.99 -62.28 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 73.34 110.854 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.617 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.88 -169.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.862 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.529 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -168.47 -65.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.05 111.106 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.87 172.9 31.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 23.34 112.448 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -38.88 7.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 75.21 112.351 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.79 24.05 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 63.02 111.123 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -131.27 137.1 48.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.892 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.3 m -115.05 114.7 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 64.33 110.908 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 17' ' ' ALA . 46.8 t -122.51 138.81 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.51 111.14 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.71 107.79 0.78 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.759 . . . . 51.55 112.457 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.89 113.41 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 71.05 110.929 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.5 m -121.9 102.44 8.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 44.3 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.66 -142.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 72.42 112.527 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -86.65 55.05 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 74.4 110.877 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -104.56 -59.72 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 65.43 110.906 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.31 -175.14 36.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 45.14 112.461 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.8 t -69.71 -38.71 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 70.31 111.115 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -53.29 -55.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 70.52 111.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -45.83 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 63.05 111.171 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -52.01 -31.69 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.869 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.04 -44.76 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.3 110.92 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.43 -40.7 71.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 70.24 111.111 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' HG11 ' A' ' 4' ' ' VAL . 10.2 m-80 -64.3 -57.89 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 62.41 110.91 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.32 -25.28 48.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.093 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -70.53 -32.13 69.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 71.34 110.928 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 36' ' ' ALA . 24.6 t -77.8 -30.19 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 74.22 111.143 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.35 -51.84 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.52 111.078 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -52.69 -29.66 27.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.3 m -91.54 -25.31 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.42 111.174 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 71.23 111.087 179.841 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.824 0.345 . . . . 71.42 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.96 104.02 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.688 -0.767 . . . . 60.42 112.437 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.652 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -139.54 116.01 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.37 . . . . 72.01 110.874 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.4 p -113.42 148.57 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.31 111.149 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.2 m -139.15 150.08 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 63.12 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -91.08 57.16 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 71.15 110.822 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.74 -96.62 0.1 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 60.23 112.481 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.07 176.11 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 64.45 110.873 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.68 -38.22 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 54.41 111.122 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.68 -36.94 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 53.21 111.097 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -82.54 -30.15 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 70.31 111.105 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.81 80.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.101 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -78.22 -26.89 47.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 70.21 110.876 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.7 t -52.93 -29.65 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 70.01 110.823 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.22 -62.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.848 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.652 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.7 t-20 51.84 -169.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.894 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.514 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -160.69 -63.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.22 111.076 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.59 177.62 28.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 71.44 112.494 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -32.84 17.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 72.54 112.33 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.97 24.05 12.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.24 111.133 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -136.75 155.67 49.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.926 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.4 m -136.18 135.4 39.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.22 110.867 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.514 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 66.7 t -135.67 132.56 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 75.42 111.158 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.94 104.32 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 53.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -52.5 110.85 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.901 0.381 . . . . 74.34 110.932 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.7 m -134.78 97.56 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 65.35 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.96 -117.12 0.47 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 50.22 112.477 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.97 45.89 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 72.22 110.899 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -96.47 -33.41 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.84 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.61 153.4 5.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 74.14 112.516 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -52.2 -40.93 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.359 . . . . 71.41 111.102 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.6 t -52.02 -51.57 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.109 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -47.27 76.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 65.51 111.109 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -52.01 -31.79 31.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -82.99 -43.32 16.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 62.01 110.903 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.52 -46.03 77.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.15 111.088 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.28 -56.23 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.94 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.79 -25.59 42.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 65.04 111.082 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -71.28 -33.79 70.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.862 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 36' ' ' ALA . 38.9 t -77.93 -29.95 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 71.44 111.109 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.92 -51.91 6.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 53.42 111.102 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.5 -30.99 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 65.42 110.906 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.9 p -86.48 -38.18 17.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.12 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 53.43 111.097 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.81 0.338 . . . . 75.45 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.6 88.9 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 51.31 112.483 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.654 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -151.1 118.37 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 73.43 110.895 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.9 p -119.58 148.33 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 62.21 111.133 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 m -138.45 147.43 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.855 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 t -88.2 63.84 7.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 64.24 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.68 -81.7 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 43.21 112.465 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.17 177.81 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.398 . . . . 74.25 110.885 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -39.68 35.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 71.21 111.139 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.69 62.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.24 111.094 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.74 -28.82 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 44.11 111.132 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.21 86.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 24.03 111.128 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -78.93 -26.17 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.924 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -52.88 -31.27 38.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.876 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.48 -61.44 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.654 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.6 t-20 51.83 -169.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.496 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -161.97 -56.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.13 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.2 172.5 23.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 51.55 112.509 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -39.22 6.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.273 . . . . 64.33 112.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.88 24.06 6.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 62.14 111.076 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -131.06 164.75 24.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.11 110.901 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.5 m -141.9 127.23 18.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.909 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 ' HB2' ' A' ' 17' ' ' ALA . 86.3 t -133.96 132.15 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 70.54 111.173 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.16 113.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 63.13 112.467 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -69.51 126.02 28.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.951 0.405 . . . . 51.44 110.904 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.9 m -138.62 102.12 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 70.04 110.862 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.83 -131.25 0.34 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 75.4 112.522 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -95.77 48.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 63.22 110.909 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -99.74 -38.04 8.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 72.01 110.862 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.1 168.41 11.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 40.44 112.482 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.15 -31.53 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.23 111.104 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.09 -56.34 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 74.55 111.084 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -53.62 -45.01 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 73.42 111.147 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -32.62 35.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 70.22 110.826 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -82.97 -45.37 14.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.929 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.35 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 45.41 111.123 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -63.65 -54.85 29.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.16 -25.69 47.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.094 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -70.7 -32.33 69.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.938 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.5 t -77.61 -32.68 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 72.12 111.127 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.52 -51.63 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.111 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -29.75 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 74.33 110.877 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -87.01 -39.6 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.123 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 41.43 111.067 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.9 m0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.829 0.347 . . . . 73.5 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.17 105.45 0.66 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.752 . . . . 73.12 112.449 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.65 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -147.46 118.75 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 75.13 110.87 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' ' 37' ' ' ASN . 11.8 p -126.86 150.43 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.44 111.115 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 m -138.24 142.56 39.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 74.04 110.843 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -80.71 72.66 7.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.863 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.48 -85.16 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.745 -0.741 . . . . 72.21 112.484 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -137.44 175.24 9.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.972 0.415 . . . . 71.43 110.853 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 p -76.54 -39.95 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 63.02 111.101 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.97 -38.84 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 55.54 111.043 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.89 -29.38 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.071 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.39 -50.2 70.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 74.21 111.065 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -72.69 -26.26 61.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.87 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -53.35 -31.29 43.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.8 -60.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.868 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 1.65 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 t-20 51.82 -169.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.869 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.33 -54.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.093 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.24 170.56 17.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 43.51 112.525 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -32.23 19.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.241 . . . . 75.33 112.359 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.66 23.99 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.109 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -137.55 139.02 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 65.32 110.928 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.8 m -116.19 120.85 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 70.21 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.9 t -132.63 115.5 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 62.04 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.23 99.23 1.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 60.5 112.513 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -82.35 110.74 17.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.953 0.406 . . . . 72.11 110.962 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.6 m -104.11 -61.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 73.05 110.885 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.85 -102.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 70.54 112.47 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -145.0 32.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 74.13 110.883 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -84.79 -27.38 26.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 72.04 110.898 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.24 167.02 11.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 64.51 112.494 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.96 -43.49 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 65.05 111.1 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.89 -55.55 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 60.43 111.159 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -46.7 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 71.1 111.127 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -52.05 -30.1 24.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 60.3 110.842 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -79.55 -47.5 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 73.04 110.908 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.32 -50.0 63.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.133 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.8 m-80 -52.22 -57.54 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.855 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -25.28 61.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.073 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -71.8 -33.13 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.04 110.881 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.87 -32.66 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 60.14 111.109 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.5 -51.41 7.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 42.1 111.12 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -51.97 -30.06 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.42 110.866 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.2 m -86.09 -37.02 19.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 73.45 111.176 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 45.22 111.102 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m95 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.803 0.335 . . . . 71.34 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.9 99.56 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.744 . . . . 54.23 112.509 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.648 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -141.13 119.81 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 54.3 110.882 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.42 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.1 p -122.46 150.15 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.22 111.095 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 60.0 m -139.51 144.72 38.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.3 110.915 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -93.56 57.03 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 50.43 110.852 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.51 -90.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.767 . . . . 65.43 112.459 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.11 174.87 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 54.32 110.874 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.77 -38.43 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 51.01 111.138 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.46 -38.68 66.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 44.01 111.076 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.7 p -82.57 -30.35 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.45 111.117 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.77 79.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 75.34 111.153 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -78.95 -26.27 43.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 73.3 110.878 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 t -52.24 -35.83 50.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 51.41 110.857 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.48 -62.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.45 110.846 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.648 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.88 -169.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.891 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.39 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 44.5 111.083 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.77 165.72 11.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 71.4 112.478 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -19.46 36.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 74.53 112.331 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.91 -25.52 18.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 54.13 111.106 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -104.51 153.44 21.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.939 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.8 m -124.15 123.17 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 73.22 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -125.79 139.75 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 72.42 111.105 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.33 96.92 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 41.12 112.453 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -72.5 114.59 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 70.53 110.961 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.9 m -118.17 173.47 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.863 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.55 -131.85 2.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 64.24 112.457 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -108.11 43.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 74.35 110.892 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -97.81 -32.11 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 54.42 110.925 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.66 153.42 6.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.737 . . . . 53.02 112.494 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.88 -39.21 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 65.52 111.095 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.1 t -55.36 -51.15 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 54.03 111.115 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -48.08 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.12 111.129 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -30.16 23.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.865 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -82.33 -45.62 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -53.35 -41.53 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 72.22 111.1 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.1 m120 -57.33 -60.5 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.946 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.57 -25.35 52.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.098 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -70.4 -31.92 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.89 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 36' ' ' ALA . 41.7 t -77.85 -30.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.104 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.89 -51.58 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 54.24 111.098 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -32.4 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.871 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.9 m -85.72 -34.77 21.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 65.52 111.103 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 62.24 111.086 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.77 0.319 . . . . 74.51 110.941 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.432 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -110.35 91.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 71.23 112.49 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.651 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.05 118.24 12.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 61.5 110.903 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.12 149.23 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.22 111.11 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.5 m -137.94 138.73 39.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 54.2 110.864 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -83.07 69.68 9.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.884 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.32 -94.22 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 54.05 112.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.53 176.4 6.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.944 0.402 . . . . 71.54 110.842 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.8 m -78.1 -37.87 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 71.44 111.149 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.53 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.35 111.105 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.74 -29.13 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 65.22 111.135 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.47 74.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.51 111.11 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -75.0 -27.6 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.916 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.49 -37.28 56.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.886 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.41 -60.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.855 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.651 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.84 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 73.41 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -167.04 -66.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.109 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.23 166.13 15.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 72.12 112.479 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -16.84 37.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 73.11 112.333 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.39 -25.4 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 43.14 111.066 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -104.05 136.53 43.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 75.1 110.907 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -107.98 136.12 48.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 74.24 110.858 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 17' ' ' ALA . 60.3 t -139.62 119.12 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.1 111.125 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.53 98.1 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.712 -0.756 . . . . 41.51 112.504 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.33 112.88 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.932 0.396 . . . . 72.32 110.915 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.4 m -126.71 119.98 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 41.13 110.892 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' H ' ' ND2' ' A' ' 29' ' ' ASN . . . -152.32 130.9 3.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 51.21 112.5 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 61.18 39.55 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 74.04 110.927 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.405 ' ND2' ' H ' ' A' ' 27' ' ' GLY . 10.4 m-20 -136.62 -57.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 53.31 110.888 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.54 -170.28 24.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 72.12 112.5 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.25 -43.93 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 74.5 111.07 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.05 -55.43 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.31 111.11 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -45.66 80.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.15 111.146 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -52.02 -30.1 23.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 64.2 110.88 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -82.97 -44.33 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 64.12 110.909 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.89 -45.22 67.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 72.13 111.112 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.17 -51.79 62.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.855 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.41 -25.98 60.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 54.13 111.096 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -70.82 -32.86 70.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.925 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.0 t -77.43 -35.71 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 64.22 111.11 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.51 -51.91 8.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 65.04 111.132 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -30.04 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.2 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 m -88.92 -37.4 15.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.183 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.081 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 39.3 m95 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.81 0.338 . . . . 71.24 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.8 88.2 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 64.21 112.511 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.658 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -136.18 114.45 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 72.45 110.885 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.2 p -121.44 149.82 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 62.11 111.133 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.0 m -137.41 147.93 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.22 110.888 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -91.29 58.21 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.838 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.08 -97.46 0.11 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 54.52 112.521 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -118.26 173.9 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.963 0.411 . . . . 74.01 110.859 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -78.34 -34.15 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 74.11 111.146 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.45 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.133 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -81.96 -28.59 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 54.1 111.138 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -48.62 79.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 54.21 111.104 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -80.35 -28.35 38.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 54.14 110.932 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t -53.6 -29.55 38.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 43.35 110.901 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.88 -61.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 73.43 110.835 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.658 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.2 t-20 51.82 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.902 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -163.82 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.14 111.092 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.13 170.64 35.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 64.41 112.455 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -28.61 24.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 30.31 112.314 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.68 24.01 12.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 72.33 111.121 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -120.71 140.07 52.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.93 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.1 m -113.71 117.49 31.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG21 ' HB2' ' A' ' 17' ' ' ALA . 90.4 t -130.05 115.25 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 45.21 111.14 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.98 106.77 1.98 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 64.22 112.513 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -80.46 114.1 19.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.976 0.417 . . . . 70.31 110.938 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.9 m -116.88 127.27 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 44.3 110.887 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.69 -134.33 2.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 64.4 112.524 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -106.03 40.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 42.22 110.845 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -89.3 -43.52 10.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.908 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.27 172.77 24.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.737 . . . . 70.44 112.479 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.38 -38.02 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 63.54 111.087 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -53.26 -52.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 64.42 111.173 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -45.73 75.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 50.41 111.167 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.05 -30.09 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.873 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -82.63 -43.19 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 71.02 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.606 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -56.58 -42.06 78.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 74.1 111.102 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.0 m120 -62.47 -60.07 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 71.22 110.866 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.84 -25.29 55.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.097 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -71.02 -33.1 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.909 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 36' ' ' ALA . 38.7 t -77.9 -30.02 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.54 111.093 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.34 -51.49 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 54.42 111.087 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -30.02 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 65.12 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.6 p -80.35 -35.36 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 71.2 111.145 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 55.12 111.114 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.7 m95 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.813 0.34 . . . . 74.32 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.78 88.34 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 72.14 112.463 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.656 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -147.97 114.76 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 72.4 110.876 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.452 HG11 ' O ' ' A' ' 37' ' ' ASN . 11.8 p -117.59 150.26 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 70.4 111.165 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 m -140.0 143.51 36.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.913 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 t -88.53 64.55 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.86 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.59 -94.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 73.12 112.51 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.82 174.82 6.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.009 0.433 . . . . 64.01 110.806 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -38.18 42.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 72.23 111.135 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.4 -37.68 67.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.12 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -82.09 -29.58 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 71.43 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.97 -47.0 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.4 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -80.33 -27.86 38.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 50.12 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.2 t -52.85 -34.2 53.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.846 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.91 -62.16 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.861 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.656 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.77 -169.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.895 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -168.2 -53.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 71.42 111.102 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.13 167.61 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.492 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -32.44 18.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 63.13 112.389 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.21 24.07 6.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.101 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -138.46 140.38 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 64.52 110.956 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.4 m -115.14 119.86 37.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.906 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 17' ' ' ALA . 38.2 t -129.51 134.18 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.34 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.42 107.17 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 62.24 112.511 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -78.22 125.27 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.406 . . . . 74.1 110.878 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.4 m -129.04 153.55 47.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 73.31 110.903 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -111.29 -128.41 5.27 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 64.52 112.484 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.93 35.57 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 73.14 110.843 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -86.61 -38.52 17.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 65.33 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.93 159.7 9.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.471 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.8 t -56.26 -39.17 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 73.12 111.112 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -52.7 -54.64 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 70.15 111.132 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -52.74 -48.16 66.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 72.3 111.145 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -30.06 23.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 75.45 110.877 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -82.59 -42.5 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -54.71 -45.71 74.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 60.33 111.106 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' HG11 ' A' ' 4' ' ' VAL . 6.5 m120 -57.68 -58.55 7.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.911 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.21 -25.82 59.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 63.01 111.1 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -70.18 -30.62 67.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 62.44 110.898 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 36' ' ' ALA . 42.0 t -77.89 -31.76 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 52.14 111.116 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.16 -51.22 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.5 111.084 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -27.15 46.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 62.3 110.904 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.5 m -90.75 -25.6 19.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 71.34 111.125 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 70.43 111.121 179.847 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.854 0.359 . . . . 62.12 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.438 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -104.32 92.88 0.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 73.43 112.484 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.621 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -135.2 114.75 12.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 64.33 110.862 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -120.28 148.29 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 61.41 111.137 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 m -138.92 144.34 39.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 65.23 110.86 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -91.1 56.18 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 54.44 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.0 -98.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 70.03 112.488 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.7 t -118.03 175.89 5.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 52.2 110.904 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.68 -34.24 46.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 61.44 111.123 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.4 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 45.44 111.094 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -81.93 -30.01 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.137 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.22 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 71.33 111.077 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -80.85 -26.59 36.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.83 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 t -52.66 -43.74 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 61.03 110.901 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.49 -60.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.44 110.814 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.621 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER 51.84 -169.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.891 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -167.43 -51.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 62.51 111.12 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.35 171.08 12.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 64.42 112.517 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -28.04 26.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 71.24 112.361 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.45 24.04 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 71.03 111.112 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -150.9 153.7 35.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.895 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.2 m -129.75 130.11 44.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 71.4 110.862 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 61.2 t -133.01 133.65 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.127 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.51 103.27 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 72.33 112.464 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -72.72 106.11 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 74.03 110.909 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -167.9 73.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 60.02 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.17 31.0 3.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 74.12 112.523 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -145.2 33.57 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 75.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -152.15 -61.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.54 175.27 47.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 64.2 112.497 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -71.68 -34.96 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 71.15 111.123 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.18 -56.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 63.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -45.13 78.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 54.03 111.142 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -30.09 23.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.85 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -82.65 -43.13 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 73.35 110.89 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -60.09 -40.22 88.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.55 111.099 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.58 -58.75 5.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.911 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.5 39.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.33 111.121 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -71.09 -33.57 70.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 71.02 110.903 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 36' ' ' ALA . 47.9 t -77.87 -30.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 75.03 111.119 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.72 -51.45 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.3 111.097 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -52.43 -31.32 33.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 65.11 110.849 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 p -79.24 -38.07 36.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 63.34 111.136 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.4 111.089 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 19.8 m95 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.813 0.34 . . . . 74.45 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.59 91.5 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 41.22 112.466 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.603 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.87 115.22 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 72.22 110.85 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -119.71 149.94 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 53.41 111.116 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.5 m -140.3 145.7 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 50.42 110.878 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -85.95 53.72 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.857 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.61 -108.24 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 71.23 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.62 176.22 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.948 0.404 . . . . 71.13 110.834 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 m -78.74 -28.96 44.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.158 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.3 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 64.43 111.07 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -83.74 -30.64 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.104 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.71 -48.23 81.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 42.14 111.107 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -77.63 -26.25 50.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.92 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.0 t -52.76 -30.24 31.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 75.11 110.866 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -98.28 -62.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.852 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.603 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.81 -169.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 53.43 110.906 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -168.71 -40.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 64.24 111.085 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.29 166.52 21.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 64.13 112.5 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -41.12 4.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.257 . . . . 75.11 112.339 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.14 24.07 12.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 52.24 111.087 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -115.15 152.58 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 64.33 110.865 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.5 m -123.94 124.15 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 75.35 110.918 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 17' ' ' ALA . 46.6 t -142.07 145.96 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 62.53 111.145 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.35 117.94 2.53 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.699 -0.762 . . . . 51.25 112.468 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -104.65 112.38 25.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.381 . . . . 63.13 110.949 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 m -113.59 140.18 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.907 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.85 130.48 3.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 72.34 112.459 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 62.88 26.41 15.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 71.13 110.902 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -120.98 -66.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 75.32 110.91 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.04 -161.59 29.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.475 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -86.48 -39.46 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 75.32 111.087 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.5 t -53.36 -63.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 70.13 111.14 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -40.37 81.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 71.32 111.155 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -30.12 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 65.42 110.862 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -82.93 -48.86 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 70.54 110.887 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.79 -35.39 43.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 73.44 111.101 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -52.01 -50.38 61.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.874 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.55 -25.28 59.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.24 111.073 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -70.51 -32.3 69.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 73.34 110.888 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.9 t -77.48 -30.55 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.5 111.122 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.31 -50.92 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 65.03 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD2' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -52.02 -30.17 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 54.41 110.905 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.429 HG23 ' HD2' ' A' ' 42' ' ' LYS . 12.1 p -81.42 -37.01 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 72.13 111.123 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 71.13 111.098 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.785 0.326 . . . . 73.34 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.96 91.14 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 73.24 112.489 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.616 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -153.1 121.09 6.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 72.34 110.884 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.633 HG11 ' O ' ' A' ' 37' ' ' ASN . 13.2 p -119.56 149.96 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.4 111.091 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.7 m -141.23 146.85 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.828 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 p -94.15 59.92 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.862 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.4 -87.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 71.41 112.475 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -131.65 174.27 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 74.1 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 m -76.17 -40.96 51.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 73.21 111.169 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.0 -40.05 60.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 63.44 111.099 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.27 -30.09 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 52.45 111.142 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.86 79.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 50.45 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -78.94 -27.19 43.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.917 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.0 t -52.59 -33.45 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.01 110.895 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.1 -62.26 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 72.23 110.842 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.616 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.8 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.895 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -169.42 -53.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.135 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.64 169.16 23.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 55.51 112.495 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -29.38 23.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 73.03 112.312 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.13 23.96 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.072 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -124.87 136.98 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.936 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.2 m -110.8 115.11 28.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 71.24 110.917 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.576 HG21 ' HB2' ' A' ' 17' ' ' ALA . 48.9 t -127.33 135.52 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.1 111.117 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.1 119.19 2.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 72.04 112.485 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -71.77 120.32 17.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.938 0.399 . . . . 75.13 110.911 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 83.1 m -145.42 142.93 29.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 74.03 110.872 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.82 134.05 1.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 65.42 112.5 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.5 t30 60.41 27.04 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 71.43 110.889 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -127.96 -55.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 70.11 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.5 -168.68 31.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.736 . . . . 51.35 112.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.47 -43.13 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 53.05 111.13 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.1 t -52.29 -56.63 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.5 111.12 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -47.36 73.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 61.32 111.093 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -30.07 24.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 72.13 110.863 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -82.75 -46.33 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 53.43 110.921 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -52.11 -42.05 62.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 75.22 111.099 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.633 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.1 m120 -62.92 -59.64 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 51.34 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.61 -25.6 53.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 60.45 111.13 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -70.71 -32.44 69.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 71.14 110.877 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 36' ' ' ALA . 59.4 t -77.85 -29.68 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 71.41 111.141 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.84 -51.89 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 64.33 111.118 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -52.46 -31.57 35.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.866 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 83.4 m -86.22 -33.07 20.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 75.31 111.169 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 62.41 111.111 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 75.31 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.73 104.97 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 73.2 112.487 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.638 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -143.97 118.8 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 24.21 110.928 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -121.65 148.23 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.35 111.122 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 m -138.45 140.97 39.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -85.26 54.63 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.05 110.809 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.51 -106.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 74.1 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.1 175.62 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 71.32 110.836 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -78.72 -27.42 44.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 72.24 111.154 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.29 79.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.089 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.02 -28.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.146 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.34 -47.78 82.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 54.51 111.107 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -78.5 -26.24 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 65.23 110.876 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.9 t -52.77 -41.57 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.862 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -90.69 -61.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 74.52 110.837 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.638 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 t-20 51.78 -169.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 55.35 110.867 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.508 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -160.85 -62.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.068 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.62 166.89 12.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 51.21 112.489 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -21.88 33.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 52.15 112.339 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.82 24.03 11.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 63.3 111.065 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -149.19 171.26 16.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.93 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.4 m -143.32 132.98 23.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 74.33 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.508 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 90.0 t -136.8 139.44 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 61.25 111.081 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.39 100.86 0.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 53.13 112.497 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -74.03 115.34 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 73.35 110.906 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 p -173.53 55.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 53.22 110.871 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.44 48.94 0.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 61.24 112.483 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -166.69 31.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 74.4 110.9 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -145.68 -51.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.62 -168.96 41.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 65.12 112.453 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.5 t -83.63 -42.62 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 50.33 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -54.09 -53.36 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 54.25 111.126 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -48.09 76.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 64.23 111.112 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -52.06 -30.07 24.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.86 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.87 -42.84 17.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.893 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.3 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.109 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -65.79 -56.03 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.89 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.53 39.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 52.2 111.097 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -71.05 -33.42 70.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 55.44 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.57 -29.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 61.54 111.111 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.31 -51.88 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 61.22 111.135 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -52.52 -32.04 38.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.891 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.2 m -86.89 -32.67 20.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 73.1 111.164 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.33 111.098 179.863 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.871 0.367 . . . . 74.22 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.17 92.56 0.65 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 41.5 112.483 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.657 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -153.43 114.89 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 73.33 110.912 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.462 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.5 p -119.17 149.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 74.02 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.6 m -139.94 145.54 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 53.13 110.897 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -88.32 72.97 8.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 65.33 110.862 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.31 -88.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 64.21 112.53 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -130.81 172.69 11.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.995 0.426 . . . . 73.12 110.828 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -77.22 -33.43 56.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 73.35 111.099 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.35 76.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 63.1 111.105 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.99 -28.97 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.32 111.109 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.85 81.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 62.24 111.113 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -78.39 -27.02 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.918 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -52.13 -30.6 27.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 52.12 110.831 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.82 -60.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 70.13 110.88 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.657 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.5 t-20 51.8 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 51.53 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -167.0 -54.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 70.43 111.093 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.75 167.97 16.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.77 . . . . 71.12 112.477 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -29.08 24.47 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.617 2.211 . . . . 64.01 112.381 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.15 24.03 10.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 63.1 111.105 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -136.49 142.28 43.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.922 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.8 m -116.85 119.11 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.871 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 17' ' ' ALA . 61.1 t -129.52 117.88 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.099 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.85 104.92 1.82 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 32.13 112.461 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.84 115.39 10.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.936 0.398 . . . . 74.24 110.961 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.4 m -126.74 117.27 22.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.14 -134.76 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 54.34 112.519 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -101.24 36.38 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 62.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -85.69 -31.27 22.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.862 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.58 -163.36 29.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.9 t -94.22 -35.5 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 70.33 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.22 -51.35 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 64.11 111.079 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -45.73 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.34 111.088 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.04 -30.05 23.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 72.11 110.892 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -82.26 -48.16 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 63.12 110.872 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.43 -48.31 68.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 54.23 111.08 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.462 ' O ' HG11 ' A' ' 4' ' ' VAL . 9.2 m120 -53.48 -58.03 8.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 63.43 110.878 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.51 -25.66 52.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 73.02 111.087 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -70.75 -32.78 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.906 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.9 -29.95 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 72.22 111.103 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.51 -51.46 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 53.32 111.123 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -32.1 39.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 55.23 110.877 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 m -88.54 -30.43 19.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 64.24 111.116 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 50.41 111.092 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.3 m95 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.828 0.347 . . . . 64.23 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.74 90.63 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 44.32 112.483 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.647 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -144.29 115.01 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 73.02 110.885 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.2 p -123.28 148.72 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 54.53 111.107 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.4 m -137.33 142.86 41.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.911 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -85.61 74.01 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.842 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.45 -92.09 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 72.1 112.471 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.77 177.38 6.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 54.01 110.882 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 m -78.74 -38.91 37.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 75.4 111.144 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.4 -37.2 62.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 43.31 111.099 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.17 -29.4 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 71.12 111.09 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.13 67.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 61.32 111.129 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -73.42 -26.38 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.4 110.901 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -41.72 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.898 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -91.5 -61.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 74.33 110.832 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.647 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.78 -169.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 65.32 110.854 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -158.54 -66.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 54.13 111.087 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.05 179.11 39.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.682 -0.77 . . . . 61.31 112.46 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -37.7 8.79 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.712 2.275 . . . . 72.1 112.354 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.1 24.02 13.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 74.35 111.11 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -125.64 134.19 51.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.912 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.5 m -111.87 134.15 53.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 44.41 110.911 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 65.5 t -143.44 117.88 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 71.15 111.096 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.44 114.08 4.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 43.43 112.492 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -75.13 106.43 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 71.22 110.941 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 83.5 m -121.9 106.55 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 52.33 110.874 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.68 -128.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.706 -0.759 . . . . 62.34 112.474 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -96.36 26.45 4.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 74.34 110.916 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -75.24 -34.16 61.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.871 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.65 -161.84 22.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 35.21 112.476 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -85.4 -28.19 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 63.54 111.152 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.1 t -55.24 -66.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 64.21 111.139 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -38.52 74.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.152 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -52.0 -30.15 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.826 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -82.7 -49.07 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.879 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.75 -40.99 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 75.2 111.13 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -63.79 -58.04 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.95 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.19 -25.43 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 60.41 111.085 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -71.14 -33.59 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 70.44 110.905 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 36' ' ' ALA . 49.2 t -77.97 -29.92 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.51 111.111 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.17 -51.38 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 34.53 111.089 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -52.13 -31.82 32.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.53 110.86 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -86.14 -40.74 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.184 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 60.53 111.076 179.856 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.807 0.337 . . . . 74.41 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.496 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -105.23 99.26 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 64.33 112.464 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.652 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -149.53 114.48 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 71.01 110.855 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.5 148.27 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 72.3 111.127 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 m -136.19 148.07 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 64.31 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -87.08 68.99 10.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.901 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.02 -91.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 72.1 112.483 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -128.25 176.82 7.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 71.33 110.843 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -39.98 34.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 73.34 111.15 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.69 -37.09 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 54.12 111.101 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.01 -29.62 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 64.44 111.101 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.81 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.41 111.144 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.21 -26.44 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 72.52 110.896 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -52.25 -34.15 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.1 110.874 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.38 -61.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 61.23 110.823 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.652 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.78 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 52.32 110.901 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.74 -63.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 63.34 111.092 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.84 174.67 40.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.04 112.459 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -35.5 12.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 64.14 112.323 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.58 24.03 13.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 62.44 111.091 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -120.51 158.24 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.891 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 82.3 m -133.96 134.64 42.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 72.34 110.844 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.22 119.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.2 111.127 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.35 102.59 1.84 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 73.14 112.477 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -91.35 110.76 22.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.909 0.385 . . . . 63.11 110.963 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.0 p -167.26 118.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 70.21 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.71 34.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 65.43 112.498 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -138.41 28.99 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 64.23 110.866 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -149.05 -65.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.861 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.58 176.68 44.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 72.35 112.462 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.45 -37.79 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 64.42 111.158 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.75 -51.81 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 65.34 111.173 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -49.21 76.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 45.42 111.168 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -30.11 24.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.816 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -82.86 -51.79 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.853 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.15 -32.51 36.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.082 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.65 -54.18 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.07 -25.23 44.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 64.01 111.062 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -71.59 -34.57 70.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.85 -29.52 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 72.32 111.159 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.1 -51.81 6.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.25 111.114 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -52.38 -32.03 36.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 71.44 110.87 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.8 p -81.73 -34.3 30.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 52.51 111.141 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.41 111.077 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 22.3 p-90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.866 0.365 . . . . 73.35 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.5 90.32 0.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 72.15 112.487 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.628 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -144.11 115.33 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.01 110.911 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.571 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.5 p -117.53 149.38 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 61.42 111.152 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 56.3 m -137.57 145.78 43.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -92.88 54.91 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.32 110.815 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.69 -93.59 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 43.44 112.466 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 m -125.35 176.11 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 71.11 110.849 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -40.1 51.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 73.32 111.173 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.34 -39.42 60.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.13 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.5 -30.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.42 111.145 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.25 81.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 61.41 111.136 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -80.73 -26.72 37.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 64.15 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 t -53.12 -38.44 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.872 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.11 -62.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.855 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.628 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.82 -169.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.915 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -167.25 -63.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 53.04 111.112 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.34 170.41 36.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 73.13 112.471 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -32.55 18.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.22 . . . . 72.24 112.354 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.65 24.06 13.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 64.14 111.104 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -120.97 134.15 55.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.871 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -105.65 115.82 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 64.55 110.825 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 17' ' ' ALA . 60.5 t -132.13 118.52 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 61.14 111.163 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.1 111.92 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 70.22 112.526 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -78.77 114.05 17.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 73.2 110.899 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.0 m -123.53 116.2 22.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 63.41 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.36 -123.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 52.45 112.502 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -120.62 55.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 74.41 110.881 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -106.53 -31.22 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 41.2 110.878 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.78 176.18 25.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 50.31 112.51 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.24 -35.87 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 73.21 111.121 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.29 -54.06 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 52.23 111.145 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.72 -46.16 74.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 65.55 111.171 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -30.07 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.888 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -82.34 -44.81 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 54.13 110.836 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.17 -39.31 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.08 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.571 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.0 m120 -64.92 -60.72 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.865 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.95 -26.35 47.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 71.24 111.092 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -69.87 -30.5 67.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 64.22 110.901 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 36' ' ' ALA . 55.6 t -78.03 -33.49 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.44 111.116 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.28 -51.9 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.072 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -29.6 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.878 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.9 m -86.38 -37.76 18.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 51.31 111.143 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.43 111.11 179.849 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.783 0.325 . . . . 74.54 110.94 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.76 88.89 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 65.13 112.489 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.625 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -146.1 115.53 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 75.41 110.881 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.504 HG11 ' O ' ' A' ' 37' ' ' ASN . 13.0 p -121.62 149.87 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 70.51 111.114 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.3 m -138.31 148.08 44.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 53.12 110.874 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -91.41 51.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 60.45 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.42 -106.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 51.23 112.456 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -108.97 174.5 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 74.13 110.873 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.8 m -78.74 -28.28 44.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 43.24 111.158 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.17 77.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 72.03 111.123 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.51 -29.59 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.134 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 63.32 111.139 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -78.58 -26.57 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 70.3 110.885 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -53.9 -30.18 45.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 63.53 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -62.83 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.864 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.625 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER 51.88 -169.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.896 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -169.93 -48.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.087 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.25 174.69 28.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 73.03 112.464 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -41.72 4.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 74.21 112.36 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.81 24.03 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 63.11 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -118.17 137.92 52.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.914 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.0 m -113.55 123.69 50.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 72.45 110.881 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 17' ' ' ALA . 87.1 t -137.22 114.75 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 64.52 111.097 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.97 117.73 5.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 62.13 112.469 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.67 107.79 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.912 0.387 . . . . 73.51 110.93 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.6 m -122.16 106.58 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 64.53 110.859 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.78 -144.71 0.29 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 45.53 112.498 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -94.86 51.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 53.11 110.885 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -99.33 -63.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.86 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.67 -161.99 25.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 65.11 112.503 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.4 t -93.33 -39.43 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 75.21 111.108 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.8 t -53.71 -51.12 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 41.42 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -46.94 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.22 111.162 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -30.13 23.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.85 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -83.0 -41.05 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.893 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.59 -48.26 77.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 53.21 111.115 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' O ' HG11 ' A' ' 4' ' ' VAL . 6.5 m120 -60.24 -57.96 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 62.42 110.901 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.97 -25.22 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.066 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -71.16 -33.39 69.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 73.24 110.859 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.29 -30.18 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.23 111.136 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.38 -51.87 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 63.12 111.108 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -31.23 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.907 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.3 m -86.01 -35.54 20.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.12 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 75.22 111.096 179.907 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.777 0.322 . . . . 71.32 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.75 101.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 74.24 112.493 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.653 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -143.11 116.33 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 42.3 110.898 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -124.0 148.91 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.083 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.2 m -137.35 143.6 42.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.52 110.897 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -89.41 60.37 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 60.54 110.856 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.75 -95.22 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.712 -0.756 . . . . 63.44 112.454 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.08 173.91 6.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.977 0.418 . . . . 62.51 110.829 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 p -78.45 -33.66 48.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 61.4 111.14 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.27 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 52.12 111.074 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -81.55 -29.18 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 64.15 111.09 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.17 83.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 62.25 111.11 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -79.98 -26.54 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.01 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 t -52.24 -37.58 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.837 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.97 -61.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.825 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.653 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.8 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 52.12 110.897 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -161.05 -66.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.102 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.69 171.28 30.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 62.44 112.507 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -26.17 27.84 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 64.32 112.304 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.46 24.06 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.11 111.108 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -134.77 135.95 42.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.898 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.9 m -112.39 119.68 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 17' ' ' ALA . 58.7 t -129.54 135.52 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 44.24 111.104 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.2 110.85 0.94 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 41.53 112.524 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -72.86 115.89 12.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.934 0.397 . . . . 72.23 110.92 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.6 m -117.26 -55.42 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 44.14 110.896 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.99 -144.21 17.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 62.33 112.496 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -99.05 31.89 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 55.32 110.902 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -81.2 -48.57 11.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 42.3 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 165.63 -172.67 41.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 24.12 112.508 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.57 -45.16 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 73.01 111.136 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -52.2 -53.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 65.1 111.116 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -47.75 71.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 61.32 111.119 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -52.01 -30.12 23.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 74.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -82.98 -44.15 15.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 54.23 110.896 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.98 -46.38 64.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.42 111.12 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -65.06 -54.88 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.903 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.85 38.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 52.41 111.091 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.07 -31.14 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.902 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.6 t -77.73 -34.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.53 111.133 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.15 -51.04 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.078 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -28.98 26.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 70.43 110.902 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.1 m -83.72 -36.54 23.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 73.13 111.158 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 63.22 111.091 179.858 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.0 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.784 0.326 . . . . 74.32 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.455 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -111.69 99.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 64.41 112.48 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.658 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -146.79 114.27 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 73.4 110.892 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 p -122.76 148.94 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 52.12 111.134 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.7 m -136.07 146.6 47.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -94.32 64.81 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 55.54 110.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.21 -90.33 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.771 -0.728 . . . . 63.01 112.487 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.91 172.11 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.972 0.415 . . . . 72.13 110.848 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.63 -31.35 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 75.15 111.115 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.53 83.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.4 111.113 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.76 -29.71 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.178 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -47.54 85.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 74.43 111.094 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -80.26 -26.57 38.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 63.42 110.927 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 t -52.24 -41.96 63.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 43.11 110.811 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.42 -62.21 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.822 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.658 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.82 -169.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 73.43 110.868 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -160.14 -62.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 61.13 111.105 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.71 173.87 27.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 71.12 112.46 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.65 16.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 65.13 112.335 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.67 24.03 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 65.32 111.084 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -134.44 136.28 43.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.969 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.8 m -113.39 128.72 56.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 53.2 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 17' ' ' ALA . 46.9 t -140.45 135.68 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 72.41 111.117 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.05 111.38 1.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 70.22 112.485 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -80.87 106.04 12.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.387 . . . . 75.22 110.919 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.7 m -100.93 -41.41 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 55.05 110.875 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.26 -113.88 3.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 72.52 112.437 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -131.98 96.81 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 53.42 110.866 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -153.27 -59.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 70.12 110.855 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.01 172.07 42.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 74.23 112.511 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.99 -40.99 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 75.24 111.114 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.29 -52.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 72.2 111.154 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -48.15 76.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 73.01 111.163 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -31.13 28.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 65.13 110.916 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -82.93 -43.85 16.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.918 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.91 -43.13 63.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.5 111.113 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -65.81 -55.79 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 63.03 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.11 -25.41 45.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 61.21 111.148 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -70.89 -32.91 70.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 36' ' ' ALA . 37.6 t -77.94 -31.65 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.079 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.83 -50.87 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.13 111.137 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -31.17 27.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.941 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.1 m -81.43 -36.56 29.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 65.11 111.145 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.455 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 70.4 111.089 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.85 0.357 . . . . 75.22 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.58 98.71 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 55.41 112.5 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.652 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.51 114.76 8.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 54.01 110.889 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.1 p -120.03 148.34 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.22 111.099 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 m -138.87 145.3 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 32.32 110.896 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -89.24 68.88 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.81 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.92 -79.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 73.21 112.472 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.83 174.35 10.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 73.02 110.887 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.9 m -75.43 -38.83 59.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 63.12 111.13 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.77 -40.44 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.118 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.4 -28.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 61.42 111.185 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.87 86.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.124 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -79.1 -27.03 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 63.02 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -52.23 -39.85 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 62.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -90.52 -60.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 72.43 110.858 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.652 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.8 -169.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.896 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -163.93 -57.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 35.33 111.14 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.93 170.15 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 73.14 112.458 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -24.23 29.93 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 71.44 112.348 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.19 24.07 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 41.21 111.133 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -138.46 134.92 34.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.875 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.7 m -110.89 130.82 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 74.02 110.896 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 17' ' ' ALA . 51.9 t -139.24 138.45 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.51 111.09 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.32 110.39 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 74.23 112.485 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -87.78 106.33 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.909 0.385 . . . . 71.41 110.931 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.0 p -154.98 120.12 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.886 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.86 165.1 30.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 52.31 112.471 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.21 26.55 16.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 64.2 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -132.12 -72.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.843 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.67 160.04 25.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 41.24 112.53 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.1 t -57.53 -40.45 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 63.22 111.12 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.94 -52.23 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 72.15 111.104 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -48.89 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 70.14 111.138 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -31.34 29.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.847 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -83.0 -42.46 17.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.891 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.79 -50.42 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.2 111.097 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -55.47 -55.53 30.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.891 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.86 -25.6 43.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.32 111.104 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -32.32 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 54.43 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -77.78 -33.8 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 72.12 111.114 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.32 -51.08 8.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 71.51 111.08 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -31.02 28.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.914 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.0 m -86.92 -36.1 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 43.04 111.165 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.2 111.071 179.871 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.339 . . . . 75.11 110.952 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.46 95.86 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 63.32 112.468 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.617 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -136.35 115.04 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 71.22 110.901 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.469 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.2 p -118.96 150.61 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 70.43 111.116 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 56.2 m -138.44 149.84 45.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 45.03 110.83 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -95.68 54.81 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.889 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.26 -100.62 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 63.25 112.475 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.16 172.37 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 71.13 110.882 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -30.12 48.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 75.44 111.129 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -35.01 79.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 61.41 111.068 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -82.99 -28.71 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 51.3 111.1 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.95 83.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.101 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -79.55 -26.86 41.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 60.31 110.852 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -52.63 -30.59 32.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 55.34 110.877 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.99 -62.28 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 73.34 110.854 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.617 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.88 -169.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.862 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.529 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -168.47 -65.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.05 111.106 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.87 172.9 31.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 23.34 112.448 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -38.88 7.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 75.21 112.351 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.79 24.05 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 63.02 111.123 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -131.27 137.1 48.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.892 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.3 m -115.05 114.7 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 64.33 110.908 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 17' ' ' ALA . 46.8 t -122.51 138.81 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.51 111.14 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.71 107.79 0.78 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.759 . . . . 51.55 112.457 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.89 113.41 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 71.05 110.929 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.5 m -121.9 102.44 8.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 44.3 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.66 -142.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 72.42 112.527 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -86.65 55.05 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 74.4 110.877 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -104.56 -59.72 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 65.43 110.906 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.31 -175.14 36.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 45.14 112.461 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.8 t -69.71 -38.71 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 70.31 111.115 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -53.29 -55.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 70.52 111.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -45.83 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 63.05 111.171 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -52.01 -31.69 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.869 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.04 -44.76 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.3 110.92 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.43 -40.7 71.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 70.24 111.111 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.7 m120 -64.3 -57.89 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 62.41 110.91 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.32 -25.28 48.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.093 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -70.53 -32.13 69.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 71.34 110.928 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 36' ' ' ALA . 24.6 t -77.8 -30.19 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 74.22 111.143 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.35 -51.84 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.52 111.078 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -52.69 -29.66 27.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.3 m -91.54 -25.31 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.42 111.174 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 71.23 111.087 179.841 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.824 0.345 . . . . 71.42 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.96 104.02 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.688 -0.767 . . . . 60.42 112.437 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.652 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -139.54 116.01 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.37 . . . . 72.01 110.874 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.4 p -113.42 148.57 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.31 111.149 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.2 m -139.15 150.08 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 63.12 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -91.08 57.16 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 71.15 110.822 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.74 -96.62 0.1 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 60.23 112.481 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.07 176.11 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 64.45 110.873 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.68 -38.22 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 54.41 111.122 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.68 -36.94 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 53.21 111.097 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -82.54 -30.15 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 70.31 111.105 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.81 80.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.101 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -78.22 -26.89 47.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 70.21 110.876 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.7 t -52.93 -29.65 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 70.01 110.823 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.22 -62.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.848 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.652 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.7 t-20 51.84 -169.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.894 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.514 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -160.69 -63.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.22 111.076 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.59 177.62 28.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 71.44 112.494 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -32.84 17.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 72.54 112.33 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.97 24.05 12.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.24 111.133 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -136.75 155.67 49.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.926 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.4 m -136.18 135.4 39.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.22 110.867 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.514 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 66.7 t -135.67 132.56 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 75.42 111.158 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.94 104.32 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 53.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -52.5 110.85 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.901 0.381 . . . . 74.34 110.932 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.7 m -134.78 97.56 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 65.35 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.96 -117.12 0.47 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 50.22 112.477 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -112.97 45.89 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 72.22 110.899 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -96.47 -33.41 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.84 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.61 153.4 5.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 74.14 112.516 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -52.2 -40.93 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.359 . . . . 71.41 111.102 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.6 t -52.02 -51.57 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.109 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -47.27 76.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 65.51 111.109 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -52.01 -31.79 31.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -82.99 -43.32 16.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 62.01 110.903 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.52 -46.03 77.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.15 111.088 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.28 -56.23 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.94 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.79 -25.59 42.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 65.04 111.082 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -71.28 -33.79 70.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.862 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 36' ' ' ALA . 38.9 t -77.93 -29.95 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 71.44 111.109 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.92 -51.91 6.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 53.42 111.102 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.5 -30.99 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 65.42 110.906 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.9 p -86.48 -38.18 17.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.12 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 53.43 111.097 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.81 0.338 . . . . 75.45 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.6 88.9 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 51.31 112.483 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.654 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -151.1 118.37 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 73.43 110.895 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.9 p -119.58 148.33 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 62.21 111.133 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 m -138.45 147.43 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.855 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 t -88.2 63.84 7.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 64.24 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.68 -81.7 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 43.21 112.465 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.17 177.81 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.398 . . . . 74.25 110.885 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -39.68 35.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 71.21 111.139 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.69 62.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.24 111.094 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.74 -28.82 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 44.11 111.132 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.21 86.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 24.03 111.128 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -78.93 -26.17 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.924 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -52.88 -31.27 38.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.876 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.48 -61.44 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.654 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.6 t-20 51.83 -169.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.496 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -161.97 -56.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.13 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.2 172.5 23.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 51.55 112.509 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -39.22 6.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.273 . . . . 64.33 112.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.88 24.06 6.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 62.14 111.076 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -131.06 164.75 24.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.11 110.901 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.5 m -141.9 127.23 18.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.909 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 ' HB2' ' A' ' 17' ' ' ALA . 86.3 t -133.96 132.15 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 70.54 111.173 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.16 113.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 63.13 112.467 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -69.51 126.02 28.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.951 0.405 . . . . 51.44 110.904 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.9 m -138.62 102.12 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 70.04 110.862 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.83 -131.25 0.34 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 75.4 112.522 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -95.77 48.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 63.22 110.909 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -99.74 -38.04 8.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 72.01 110.862 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.1 168.41 11.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 40.44 112.482 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.15 -31.53 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.23 111.104 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.09 -56.34 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 74.55 111.084 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -53.62 -45.01 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 73.42 111.147 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -32.62 35.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 70.22 110.826 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -82.97 -45.37 14.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.929 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.35 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 45.41 111.123 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -63.65 -54.85 29.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.16 -25.69 47.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.094 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -70.7 -32.33 69.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.938 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.5 t -77.61 -32.68 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 72.12 111.127 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.52 -51.63 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.111 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -29.75 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 74.33 110.877 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -87.01 -39.6 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.123 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 41.43 111.067 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.9 m0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.829 0.347 . . . . 73.5 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.17 105.45 0.66 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.752 . . . . 73.12 112.449 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.65 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -147.46 118.75 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 75.13 110.87 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' ' 37' ' ' ASN . 11.8 p -126.86 150.43 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.44 111.115 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 m -138.24 142.56 39.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 74.04 110.843 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -80.71 72.66 7.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.863 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.48 -85.16 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.745 -0.741 . . . . 72.21 112.484 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -137.44 175.24 9.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.972 0.415 . . . . 71.43 110.853 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 p -76.54 -39.95 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 63.02 111.101 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.97 -38.84 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 55.54 111.043 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.89 -29.38 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.071 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.39 -50.2 70.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 74.21 111.065 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -72.69 -26.26 61.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.87 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -53.35 -31.29 43.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.8 -60.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.868 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 1.65 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 t-20 51.82 -169.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.869 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.33 -54.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.093 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.24 170.56 17.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 43.51 112.525 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -32.23 19.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.241 . . . . 75.33 112.359 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.66 23.99 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.109 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -137.55 139.02 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 65.32 110.928 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.8 m -116.19 120.85 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 70.21 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.9 t -132.63 115.5 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 62.04 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.23 99.23 1.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 60.5 112.513 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -82.35 110.74 17.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.953 0.406 . . . . 72.11 110.962 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.6 m -104.11 -61.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 73.05 110.885 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.85 -102.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 70.54 112.47 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -145.0 32.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 74.13 110.883 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -84.79 -27.38 26.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 72.04 110.898 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.24 167.02 11.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 64.51 112.494 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.96 -43.49 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 65.05 111.1 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.89 -55.55 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 60.43 111.159 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -46.7 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 71.1 111.127 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -52.05 -30.1 24.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 60.3 110.842 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -79.55 -47.5 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 73.04 110.908 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.32 -50.0 63.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.133 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.41 ' O ' HG11 ' A' ' 4' ' ' VAL . 9.6 m120 -52.22 -57.54 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.855 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -25.28 61.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.073 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -71.8 -33.13 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.04 110.881 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.87 -32.66 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 60.14 111.109 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.5 -51.41 7.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 42.1 111.12 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -51.97 -30.06 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.42 110.866 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.2 m -86.09 -37.02 19.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 73.45 111.176 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 45.22 111.102 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.6 m95 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.803 0.335 . . . . 71.34 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.9 99.56 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.744 . . . . 54.23 112.509 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.648 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -141.13 119.81 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 54.3 110.882 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.42 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.1 p -122.46 150.15 26.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.22 111.095 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 60.0 m -139.51 144.72 38.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.3 110.915 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -93.56 57.03 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 50.43 110.852 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.51 -90.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.767 . . . . 65.43 112.459 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.11 174.87 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 54.32 110.874 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.77 -38.43 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 51.01 111.138 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.46 -38.68 66.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 44.01 111.076 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.7 p -82.57 -30.35 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.45 111.117 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.77 79.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 75.34 111.153 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -78.95 -26.27 43.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 73.3 110.878 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 t -52.24 -35.83 50.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 51.41 110.857 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.48 -62.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.45 110.846 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.648 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.88 -169.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.891 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.39 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 44.5 111.083 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.77 165.72 11.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 71.4 112.478 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -19.46 36.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 74.53 112.331 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.91 -25.52 18.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 54.13 111.106 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -104.51 153.44 21.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.939 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.8 m -124.15 123.17 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 73.22 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -125.79 139.75 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 72.42 111.105 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.33 96.92 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 41.12 112.453 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -72.5 114.59 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 70.53 110.961 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.9 m -118.17 173.47 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.863 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.55 -131.85 2.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 64.24 112.457 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -108.11 43.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 74.35 110.892 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -97.81 -32.11 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 54.42 110.925 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.66 153.42 6.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.737 . . . . 53.02 112.494 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.88 -39.21 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 65.52 111.095 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.1 t -55.36 -51.15 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 54.03 111.115 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -48.08 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.12 111.129 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -30.16 23.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.865 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -82.33 -45.62 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -53.35 -41.53 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 72.22 111.1 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.1 m120 -57.33 -60.5 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.946 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.57 -25.35 52.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.098 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -70.4 -31.92 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.89 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 36' ' ' ALA . 41.7 t -77.85 -30.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.44 111.104 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.89 -51.58 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 54.24 111.098 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -32.4 34.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.871 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.9 m -85.72 -34.77 21.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 65.52 111.103 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 62.24 111.086 179.86 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.77 0.319 . . . . 74.51 110.941 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.432 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -110.35 91.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 71.23 112.49 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.651 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -139.05 118.24 12.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 61.5 110.903 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.12 149.23 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 74.22 111.11 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.5 m -137.94 138.73 39.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 54.2 110.864 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -83.07 69.68 9.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.884 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.32 -94.22 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 54.05 112.441 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.53 176.4 6.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.944 0.402 . . . . 71.54 110.842 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.8 m -78.1 -37.87 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 71.44 111.149 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.53 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.35 111.105 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.74 -29.13 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 65.22 111.135 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.11 -49.47 74.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.51 111.11 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -75.0 -27.6 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.916 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.49 -37.28 56.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.886 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -96.41 -60.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.855 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.651 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.84 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 73.41 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -167.04 -66.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.109 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.23 166.13 15.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 72.12 112.479 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -16.84 37.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 73.11 112.333 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.39 -25.4 13.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 43.14 111.066 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -104.05 136.53 43.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 75.1 110.907 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -107.98 136.12 48.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 74.24 110.858 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 17' ' ' ALA . 60.3 t -139.62 119.12 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.1 111.125 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.53 98.1 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.712 -0.756 . . . . 41.51 112.504 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.33 112.88 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.932 0.396 . . . . 72.32 110.915 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.4 m -126.71 119.98 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 41.13 110.892 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' H ' ' ND2' ' A' ' 29' ' ' ASN . . . -152.32 130.9 3.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 51.21 112.5 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 61.18 39.55 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 74.04 110.927 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.405 ' ND2' ' H ' ' A' ' 27' ' ' GLY . 10.4 m-20 -136.62 -57.53 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 53.31 110.888 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.54 -170.28 24.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 72.12 112.5 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.25 -43.93 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 74.5 111.07 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.05 -55.43 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.31 111.11 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -45.66 80.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.15 111.146 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -52.02 -30.1 23.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 64.2 110.88 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -82.97 -44.33 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 64.12 110.909 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.89 -45.22 67.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 72.13 111.112 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.17 -51.79 62.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.855 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.41 -25.98 60.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 54.13 111.096 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -70.82 -32.86 70.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.925 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.0 t -77.43 -35.71 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 64.22 111.11 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.51 -51.91 8.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 65.04 111.132 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -30.04 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.2 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.2 m -88.92 -37.4 15.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.183 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.081 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 39.3 m95 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.81 0.338 . . . . 71.24 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.8 88.2 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 64.21 112.511 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.658 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -136.18 114.45 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 72.45 110.885 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.2 p -121.44 149.82 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 62.11 111.133 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.0 m -137.41 147.93 45.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.22 110.888 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -91.29 58.21 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.838 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.08 -97.46 0.11 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 54.52 112.521 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -118.26 173.9 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.963 0.411 . . . . 74.01 110.859 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -78.34 -34.15 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 74.11 111.146 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.45 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.133 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -81.96 -28.59 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 54.1 111.138 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -48.62 79.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 54.21 111.104 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -80.35 -28.35 38.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 54.14 110.932 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t -53.6 -29.55 38.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 43.35 110.901 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.88 -61.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 73.43 110.835 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.658 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.2 t-20 51.82 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.902 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -163.82 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.14 111.092 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.13 170.64 35.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 64.41 112.455 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -28.61 24.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 30.31 112.314 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.68 24.01 12.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 72.33 111.121 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -120.71 140.07 52.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 71.32 110.93 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.1 m -113.71 117.49 31.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG21 ' HB2' ' A' ' 17' ' ' ALA . 90.4 t -130.05 115.25 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 45.21 111.14 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.98 106.77 1.98 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 64.22 112.513 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -80.46 114.1 19.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.976 0.417 . . . . 70.31 110.938 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.9 m -116.88 127.27 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 44.3 110.887 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.69 -134.33 2.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 64.4 112.524 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -106.03 40.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 42.22 110.845 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -89.3 -43.52 10.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.908 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.27 172.77 24.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.737 . . . . 70.44 112.479 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.38 -38.02 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 63.54 111.087 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -53.26 -52.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 64.42 111.173 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -45.73 75.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 50.41 111.167 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.05 -30.09 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.873 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -82.63 -43.19 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 71.02 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.606 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -56.58 -42.06 78.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 74.1 111.102 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.0 m120 -62.47 -60.07 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 71.22 110.866 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.84 -25.29 55.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.097 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -71.02 -33.1 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.909 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 36' ' ' ALA . 38.7 t -77.9 -30.02 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.54 111.093 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.34 -51.49 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 54.42 111.087 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -30.02 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 65.12 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.6 p -80.35 -35.36 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 71.2 111.145 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 55.12 111.114 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 38.7 m95 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.813 0.34 . . . . 74.32 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.78 88.34 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 72.14 112.463 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.656 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -147.97 114.76 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.938 0.399 . . . . 72.4 110.876 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.452 HG11 ' O ' ' A' ' 37' ' ' ASN . 11.8 p -117.59 150.26 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 70.4 111.165 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 m -140.0 143.51 36.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.913 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 t -88.53 64.55 7.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.86 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.59 -94.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 73.12 112.51 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.82 174.82 6.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.009 0.433 . . . . 64.01 110.806 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -38.18 42.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 72.23 111.135 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.4 -37.68 67.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.12 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -82.09 -29.58 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 71.43 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.97 -47.0 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.4 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -80.33 -27.86 38.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 50.12 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.2 t -52.85 -34.2 53.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.846 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.91 -62.16 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.861 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.656 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.77 -169.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.895 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -168.2 -53.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 71.42 111.102 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.13 167.61 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.492 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -32.44 18.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 63.13 112.389 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.21 24.07 6.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.101 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -138.46 140.38 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 64.52 110.956 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.4 m -115.14 119.86 37.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.906 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 17' ' ' ALA . 38.2 t -129.51 134.18 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.34 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.42 107.17 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 62.24 112.511 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -78.22 125.27 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.406 . . . . 74.1 110.878 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.4 m -129.04 153.55 47.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 73.31 110.903 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -111.29 -128.41 5.27 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 64.52 112.484 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -111.93 35.57 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 73.14 110.843 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -86.61 -38.52 17.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 65.33 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.93 159.7 9.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.471 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.8 t -56.26 -39.17 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 73.12 111.112 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -52.7 -54.64 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 70.15 111.132 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -52.74 -48.16 66.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 72.3 111.145 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -30.06 23.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 75.45 110.877 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -82.59 -42.5 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -54.71 -45.71 74.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 60.33 111.106 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' HG11 ' A' ' 4' ' ' VAL . 6.5 m120 -57.68 -58.55 7.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 75.24 110.911 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.21 -25.82 59.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 63.01 111.1 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -70.18 -30.62 67.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 62.44 110.898 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 36' ' ' ALA . 42.0 t -77.89 -31.76 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 52.14 111.116 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.16 -51.22 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.5 111.084 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -27.15 46.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 62.3 110.904 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.5 m -90.75 -25.6 19.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 71.34 111.125 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 70.43 111.121 179.847 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.854 0.359 . . . . 62.12 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.438 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -104.32 92.88 0.91 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 73.43 112.484 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.621 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -135.2 114.75 12.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 64.33 110.862 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -120.28 148.29 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 61.41 111.137 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 m -138.92 144.34 39.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 65.23 110.86 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -91.1 56.18 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 54.44 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.0 -98.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 70.03 112.488 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.7 t -118.03 175.89 5.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 52.2 110.904 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.68 -34.24 46.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 61.44 111.123 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.4 77.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 45.44 111.094 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -81.93 -30.01 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.137 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.22 -47.22 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 71.33 111.077 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -80.85 -26.59 36.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.83 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.4 t -52.66 -43.74 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 61.03 110.901 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.49 -60.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.44 110.814 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.621 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER 51.84 -169.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 71.32 110.891 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -167.43 -51.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 62.51 111.12 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.35 171.08 12.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 64.42 112.517 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -28.04 26.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 71.24 112.361 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.45 24.04 7.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 71.03 111.112 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -150.9 153.7 35.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.895 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.2 m -129.75 130.11 44.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 71.4 110.862 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 61.2 t -133.01 133.65 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.127 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.51 103.27 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 72.33 112.464 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -72.72 106.11 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 74.03 110.909 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 p -167.9 73.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 60.02 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.17 31.0 3.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 74.12 112.523 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -145.2 33.57 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 75.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -152.15 -61.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.54 175.27 47.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 64.2 112.497 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -71.68 -34.96 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 71.15 111.123 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.18 -56.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 63.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.75 -45.13 78.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 54.03 111.142 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -30.09 23.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.85 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -82.65 -43.13 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 73.35 110.89 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -60.09 -40.22 88.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.55 111.099 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.58 -58.75 5.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.911 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.66 -25.5 39.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.33 111.121 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -71.09 -33.57 70.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 71.02 110.903 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 36' ' ' ALA . 47.9 t -77.87 -30.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 75.03 111.119 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.72 -51.45 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.3 111.097 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -52.43 -31.32 33.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 65.11 110.849 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 p -79.24 -38.07 36.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 63.34 111.136 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.4 111.089 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 19.8 m95 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.813 0.34 . . . . 74.45 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.59 91.5 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 41.22 112.466 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.603 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.87 115.22 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 72.22 110.85 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -119.71 149.94 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 53.41 111.116 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.5 m -140.3 145.7 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 50.42 110.878 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -85.95 53.72 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.857 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.61 -108.24 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 71.23 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.62 176.22 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.948 0.404 . . . . 71.13 110.834 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 m -78.74 -28.96 44.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.158 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.3 78.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 64.43 111.07 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -83.74 -30.64 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.104 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.71 -48.23 81.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 42.14 111.107 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -77.63 -26.25 50.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.92 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.0 t -52.76 -30.24 31.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 75.11 110.866 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -98.28 -62.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.852 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.603 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.81 -169.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 53.43 110.906 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -168.71 -40.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 64.24 111.085 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.29 166.52 21.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.788 -0.72 . . . . 64.13 112.5 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -41.12 4.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.257 . . . . 75.11 112.339 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.14 24.07 12.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 52.24 111.087 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -115.15 152.58 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 64.33 110.865 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.5 m -123.94 124.15 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 75.35 110.918 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 17' ' ' ALA . 46.6 t -142.07 145.96 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 62.53 111.145 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.35 117.94 2.53 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.699 -0.762 . . . . 51.25 112.468 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -104.65 112.38 25.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.381 . . . . 63.13 110.949 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 m -113.59 140.18 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.907 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.85 130.48 3.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 72.34 112.459 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 62.88 26.41 15.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 71.13 110.902 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -120.98 -66.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 75.32 110.91 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.04 -161.59 29.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.475 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -86.48 -39.46 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 75.32 111.087 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.5 t -53.36 -63.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 70.13 111.14 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -40.37 81.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 71.32 111.155 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -30.12 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 65.42 110.862 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -82.93 -48.86 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 70.54 110.887 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.79 -35.39 43.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 73.44 111.101 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -52.01 -50.38 61.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.874 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.55 -25.28 59.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.24 111.073 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -70.51 -32.3 69.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 73.34 110.888 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.9 t -77.48 -30.55 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.5 111.122 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.31 -50.92 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 65.03 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD2' HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -52.02 -30.17 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 54.41 110.905 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.429 HG23 ' HD2' ' A' ' 42' ' ' LYS . 12.1 p -81.42 -37.01 28.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 72.13 111.123 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 71.13 111.098 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.785 0.326 . . . . 73.34 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.96 91.14 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 73.24 112.489 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.616 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -153.1 121.09 6.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 72.34 110.884 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.633 HG11 ' O ' ' A' ' 37' ' ' ASN . 13.2 p -119.56 149.96 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.4 111.091 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.7 m -141.23 146.85 37.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.828 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 p -94.15 59.92 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.862 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.4 -87.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 71.41 112.475 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -131.65 174.27 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 74.1 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 m -76.17 -40.96 51.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 73.21 111.169 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.0 -40.05 60.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 63.44 111.099 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.27 -30.09 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 52.45 111.142 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -48.86 79.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 50.45 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -78.94 -27.19 43.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.917 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.0 t -52.59 -33.45 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.01 110.895 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.1 -62.26 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 72.23 110.842 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.616 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.8 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.895 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.576 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -169.42 -53.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.135 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 160.64 169.16 23.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 55.51 112.495 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -29.38 23.52 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 73.03 112.312 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.13 23.96 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.072 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -124.87 136.98 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.936 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.2 m -110.8 115.11 28.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 71.24 110.917 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.576 HG21 ' HB2' ' A' ' 17' ' ' ALA . 48.9 t -127.33 135.52 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.1 111.117 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.1 119.19 2.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 72.04 112.485 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -71.77 120.32 17.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.938 0.399 . . . . 75.13 110.911 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 83.1 m -145.42 142.93 29.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 74.03 110.872 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.82 134.05 1.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 65.42 112.5 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.5 t30 60.41 27.04 16.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 71.43 110.889 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -127.96 -55.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 70.11 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.5 -168.68 31.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.736 . . . . 51.35 112.486 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.47 -43.13 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 53.05 111.13 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.1 t -52.29 -56.63 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.5 111.12 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -47.36 73.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 61.32 111.093 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -30.07 24.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 72.13 110.863 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -82.75 -46.33 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 53.43 110.921 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -52.11 -42.05 62.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 75.22 111.099 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.633 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.1 m120 -62.92 -59.64 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 51.34 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.61 -25.6 53.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 60.45 111.13 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -70.71 -32.44 69.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 71.14 110.877 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 36' ' ' ALA . 59.4 t -77.85 -29.68 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 71.41 111.141 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.84 -51.89 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 64.33 111.118 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -52.46 -31.57 35.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.866 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 83.4 m -86.22 -33.07 20.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 75.31 111.169 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 62.41 111.111 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 75.31 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.73 104.97 0.55 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 73.2 112.487 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.638 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -143.97 118.8 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 24.21 110.928 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -121.65 148.23 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.35 111.122 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 m -138.45 140.97 39.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -85.26 54.63 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 74.05 110.809 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.51 -106.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 74.1 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.1 175.62 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 71.32 110.836 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -78.72 -27.42 44.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 72.24 111.154 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.29 79.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.089 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -83.02 -28.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.146 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.34 -47.78 82.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 54.51 111.107 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -78.5 -26.24 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 65.23 110.876 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.9 t -52.77 -41.57 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.862 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -90.69 -61.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 74.52 110.837 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.638 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 t-20 51.78 -169.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 55.35 110.867 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.508 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -160.85 -62.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.068 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.62 166.89 12.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 51.21 112.489 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -21.88 33.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 52.15 112.339 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.82 24.03 11.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 63.3 111.065 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -149.19 171.26 16.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.93 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.4 m -143.32 132.98 23.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 74.33 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.508 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 90.0 t -136.8 139.44 44.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 61.25 111.081 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.39 100.86 0.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 53.13 112.497 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -74.03 115.34 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 73.35 110.906 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 p -173.53 55.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 53.22 110.871 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.44 48.94 0.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 61.24 112.483 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -166.69 31.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 74.4 110.9 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -145.68 -51.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.62 -168.96 41.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 65.12 112.453 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.5 t -83.63 -42.62 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 50.33 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -54.09 -53.36 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 54.25 111.126 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -48.09 76.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 64.23 111.112 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -52.06 -30.07 24.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.86 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -82.87 -42.84 17.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.893 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.76 -38.3 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.109 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -65.79 -56.03 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.89 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.53 39.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 52.2 111.097 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -71.05 -33.42 70.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 55.44 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.57 -29.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 61.54 111.111 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.31 -51.88 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 61.22 111.135 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -52.52 -32.04 38.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.891 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.2 m -86.89 -32.67 20.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 73.1 111.164 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.33 111.098 179.863 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.871 0.367 . . . . 74.22 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.17 92.56 0.65 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 41.5 112.483 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.657 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -153.43 114.89 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 73.33 110.912 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.462 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.5 p -119.17 149.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 74.02 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.6 m -139.94 145.54 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 53.13 110.897 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -88.32 72.97 8.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 65.33 110.862 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.31 -88.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 64.21 112.53 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -130.81 172.69 11.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.995 0.426 . . . . 73.12 110.828 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -77.22 -33.43 56.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 73.35 111.099 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.35 76.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 63.1 111.105 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.99 -28.97 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.32 111.109 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.88 -47.85 81.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 62.24 111.113 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -78.39 -27.02 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.918 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -52.13 -30.6 27.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 52.12 110.831 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.82 -60.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 70.13 110.88 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.657 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.5 t-20 51.8 -169.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 51.53 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -167.0 -54.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 70.43 111.093 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.75 167.97 16.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.77 . . . . 71.12 112.477 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -29.08 24.47 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.617 2.211 . . . . 64.01 112.381 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.15 24.03 10.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 63.1 111.105 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -136.49 142.28 43.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.922 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.8 m -116.85 119.11 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.871 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 17' ' ' ALA . 61.1 t -129.52 117.88 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 74.21 111.099 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.85 104.92 1.82 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 32.13 112.461 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.84 115.39 10.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.936 0.398 . . . . 74.24 110.961 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.4 m -126.74 117.27 22.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.14 -134.76 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 54.34 112.519 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -101.24 36.38 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 62.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -85.69 -31.27 22.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.862 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.58 -163.36 29.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.9 t -94.22 -35.5 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 70.33 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.22 -51.35 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 64.11 111.079 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -45.73 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.34 111.088 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.04 -30.05 23.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 72.11 110.892 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -82.26 -48.16 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 63.12 110.872 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.43 -48.31 68.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 54.23 111.08 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.462 ' O ' HG11 ' A' ' 4' ' ' VAL . 9.2 m120 -53.48 -58.03 8.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 63.43 110.878 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.51 -25.66 52.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 73.02 111.087 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -70.75 -32.78 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.906 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -77.9 -29.95 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 72.22 111.103 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.51 -51.46 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 53.32 111.123 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -32.1 39.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 55.23 110.877 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 m -88.54 -30.43 19.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 64.24 111.116 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 50.41 111.092 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.3 m95 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.828 0.347 . . . . 64.23 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.74 90.63 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 44.32 112.483 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.647 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -144.29 115.01 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 73.02 110.885 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.2 p -123.28 148.72 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 54.53 111.107 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.4 m -137.33 142.86 41.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.911 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -85.61 74.01 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.842 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.45 -92.09 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 72.1 112.471 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.77 177.38 6.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 54.01 110.882 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 m -78.74 -38.91 37.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 75.4 111.144 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.4 -37.2 62.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 43.31 111.099 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.17 -29.4 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 71.12 111.09 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.13 67.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 61.32 111.129 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -73.42 -26.38 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.4 110.901 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -41.72 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.898 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -91.5 -61.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 74.33 110.832 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.647 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.78 -169.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 65.32 110.854 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -158.54 -66.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 54.13 111.087 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.05 179.11 39.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.682 -0.77 . . . . 61.31 112.46 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -37.7 8.79 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.712 2.275 . . . . 72.1 112.354 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.1 24.02 13.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 74.35 111.11 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -125.64 134.19 51.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.912 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.5 m -111.87 134.15 53.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 44.41 110.911 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 65.5 t -143.44 117.88 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 71.15 111.096 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.44 114.08 4.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 43.43 112.492 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -75.13 106.43 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 71.22 110.941 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 83.5 m -121.9 106.55 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 52.33 110.874 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.68 -128.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.706 -0.759 . . . . 62.34 112.474 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -96.36 26.45 4.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 74.34 110.916 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -75.24 -34.16 61.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.871 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.65 -161.84 22.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 35.21 112.476 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -85.4 -28.19 6.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 63.54 111.152 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.1 t -55.24 -66.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 64.21 111.139 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -38.52 74.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.152 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -52.0 -30.15 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.826 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -82.7 -49.07 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.879 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.75 -40.99 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 75.2 111.13 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -63.79 -58.04 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.95 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.19 -25.43 46.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 60.41 111.085 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -71.14 -33.59 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 70.44 110.905 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 36' ' ' ALA . 49.2 t -77.97 -29.92 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.51 111.111 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.17 -51.38 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 34.53 111.089 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -52.13 -31.82 32.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.53 110.86 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -86.14 -40.74 15.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.184 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 60.53 111.076 179.856 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.807 0.337 . . . . 74.41 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.496 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -105.23 99.26 1.57 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 64.33 112.464 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.652 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -149.53 114.48 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 71.01 110.855 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.5 148.27 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 72.3 111.127 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.7 m -136.19 148.07 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 64.31 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -87.08 68.99 10.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 63.43 110.901 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.02 -91.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 72.1 112.483 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -128.25 176.82 7.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.982 0.42 . . . . 71.33 110.843 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -39.98 34.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 73.34 111.15 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.69 -37.09 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 54.12 111.101 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.01 -29.62 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 64.44 111.101 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.81 83.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.41 111.144 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.21 -26.44 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 72.52 110.896 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -52.25 -34.15 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.1 110.874 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.38 -61.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 61.23 110.823 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.652 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER 51.78 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 52.32 110.901 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.74 -63.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 63.34 111.092 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.84 174.67 40.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.04 112.459 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -35.5 12.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 64.14 112.323 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.58 24.03 13.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 62.44 111.091 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -120.51 158.24 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.891 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 82.3 m -133.96 134.64 42.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 72.34 110.844 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.22 119.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 74.2 111.127 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.35 102.59 1.84 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 73.14 112.477 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -91.35 110.76 22.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.909 0.385 . . . . 63.11 110.963 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.0 p -167.26 118.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 70.21 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.71 34.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 65.43 112.498 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -138.41 28.99 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 64.23 110.866 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -149.05 -65.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.861 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.58 176.68 44.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 72.35 112.462 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.45 -37.79 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 64.42 111.158 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.75 -51.81 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 65.34 111.173 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -49.21 76.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 45.42 111.168 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -30.11 24.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.816 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -82.86 -51.79 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.853 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.15 -32.51 36.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.082 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.65 -54.18 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.07 -25.23 44.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 64.01 111.062 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -71.59 -34.57 70.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.13 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.85 -29.52 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 72.32 111.159 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.1 -51.81 6.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.25 111.114 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -52.38 -32.03 36.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 71.44 110.87 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.8 p -81.73 -34.3 30.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 52.51 111.141 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 62.41 111.077 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 22.3 p-90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.866 0.365 . . . . 73.35 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.5 90.32 0.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 72.15 112.487 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.628 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -144.11 115.33 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.01 110.911 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.571 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.5 p -117.53 149.38 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 61.42 111.152 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 56.3 m -137.57 145.78 43.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -92.88 54.91 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 71.32 110.815 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.69 -93.59 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 43.44 112.466 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 m -125.35 176.11 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 71.11 110.849 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -40.1 51.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 73.32 111.173 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.34 -39.42 60.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.13 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.5 -30.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.42 111.145 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -48.25 81.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 61.41 111.136 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -80.73 -26.72 37.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 64.15 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.4 t -53.12 -38.44 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.872 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.11 -62.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.855 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.628 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.82 -169.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.915 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -167.25 -63.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 53.04 111.112 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.34 170.41 36.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 73.13 112.471 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -32.55 18.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.22 . . . . 72.24 112.354 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.65 24.06 13.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 64.14 111.104 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -120.97 134.15 55.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.871 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 73.0 m -105.65 115.82 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 64.55 110.825 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 17' ' ' ALA . 60.5 t -132.13 118.52 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 61.14 111.163 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.1 111.92 2.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 70.22 112.526 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -78.77 114.05 17.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 73.2 110.899 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.0 m -123.53 116.2 22.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 63.41 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.36 -123.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 52.45 112.502 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -120.62 55.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 74.41 110.881 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -106.53 -31.22 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 41.2 110.878 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.78 176.18 25.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 50.31 112.51 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.24 -35.87 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 73.21 111.121 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.4 t -54.29 -54.06 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 52.23 111.145 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.72 -46.16 74.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 65.55 111.171 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -30.07 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.888 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -82.34 -44.81 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 54.13 110.836 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.17 -39.31 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.08 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.571 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.0 m120 -64.92 -60.72 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.865 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.95 -26.35 47.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 71.24 111.092 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -69.87 -30.5 67.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 64.22 110.901 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 36' ' ' ALA . 55.6 t -78.03 -33.49 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.44 111.116 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.28 -51.9 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.072 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -29.6 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.878 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.9 m -86.38 -37.76 18.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 51.31 111.143 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.43 111.11 179.849 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.783 0.325 . . . . 74.54 110.94 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.76 88.89 0.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 65.13 112.489 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.625 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -146.1 115.53 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 75.41 110.881 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.504 HG11 ' O ' ' A' ' 37' ' ' ASN . 13.0 p -121.62 149.87 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 70.51 111.114 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.3 m -138.31 148.08 44.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 53.12 110.874 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -91.41 51.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 60.45 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.42 -106.1 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 51.23 112.456 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -108.97 174.5 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 74.13 110.873 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.8 m -78.74 -28.28 44.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 43.24 111.158 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.17 77.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 72.03 111.123 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.51 -29.59 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.134 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 63.32 111.139 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -78.58 -26.57 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 70.3 110.885 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -53.9 -30.18 45.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 63.53 110.863 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -62.83 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.864 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.625 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 0.9 OUTLIER 51.88 -169.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.42 110.896 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -169.93 -48.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 75.13 111.087 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.25 174.69 28.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 73.03 112.464 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -41.72 4.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 74.21 112.36 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.81 24.03 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 63.11 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -118.17 137.92 52.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.914 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 68.0 m -113.55 123.69 50.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 72.45 110.881 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 17' ' ' ALA . 87.1 t -137.22 114.75 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 64.52 111.097 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.97 117.73 5.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 62.13 112.469 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.67 107.79 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.912 0.387 . . . . 73.51 110.93 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.6 m -122.16 106.58 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 64.53 110.859 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.78 -144.71 0.29 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 45.53 112.498 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -94.86 51.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 53.11 110.885 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -99.33 -63.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.86 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.67 -161.99 25.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 65.11 112.503 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.4 t -93.33 -39.43 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 75.21 111.108 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.8 t -53.71 -51.12 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 41.42 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -46.94 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.22 111.162 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -30.13 23.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.85 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -83.0 -41.05 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.893 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.59 -48.26 77.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 53.21 111.115 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' O ' HG11 ' A' ' 4' ' ' VAL . 6.5 m120 -60.24 -57.96 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 62.42 110.901 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.97 -25.22 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.066 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -71.16 -33.39 69.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 73.24 110.859 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.29 -30.18 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 62.23 111.136 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.38 -51.87 6.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 63.12 111.108 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -31.23 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.907 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.3 m -86.01 -35.54 20.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.12 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 75.22 111.096 179.907 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.777 0.322 . . . . 71.32 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.75 101.31 0.49 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 74.24 112.493 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.653 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -143.11 116.33 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.382 . . . . 42.3 110.898 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -124.0 148.91 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 72.4 111.083 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.2 m -137.35 143.6 42.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.52 110.897 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -89.41 60.37 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 60.54 110.856 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.75 -95.22 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.712 -0.756 . . . . 63.44 112.454 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.08 173.91 6.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.977 0.418 . . . . 62.51 110.829 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 p -78.45 -33.66 48.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 61.4 111.14 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.27 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 52.12 111.074 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -81.55 -29.18 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 64.15 111.09 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.17 83.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 62.25 111.11 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -79.98 -26.54 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.01 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.5 t -52.24 -37.58 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.837 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.97 -61.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.825 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.653 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.8 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 52.12 110.897 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -161.05 -66.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.102 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.69 171.28 30.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 62.44 112.507 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -26.17 27.84 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 64.32 112.304 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.46 24.06 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.11 111.108 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -134.77 135.95 42.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.898 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.9 m -112.39 119.68 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 17' ' ' ALA . 58.7 t -129.54 135.52 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 44.24 111.104 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.2 110.85 0.94 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 41.53 112.524 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -72.86 115.89 12.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.934 0.397 . . . . 72.23 110.92 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.6 m -117.26 -55.42 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 44.14 110.896 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.99 -144.21 17.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 62.33 112.496 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -99.05 31.89 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 55.32 110.902 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -81.2 -48.57 11.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 42.3 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 165.63 -172.67 41.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 24.12 112.508 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.1 t -83.57 -45.16 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 73.01 111.136 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -52.2 -53.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 65.1 111.116 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -47.75 71.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 61.32 111.119 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -52.01 -30.12 23.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 74.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -82.98 -44.15 15.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 54.23 110.896 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.98 -46.38 64.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.42 111.12 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -65.06 -54.88 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.903 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.85 38.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 52.41 111.091 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -70.07 -31.14 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.902 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.6 t -77.73 -34.6 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.53 111.133 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.15 -51.04 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.078 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -28.98 26.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 70.43 110.902 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.1 m -83.72 -36.54 23.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 73.13 111.158 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 63.22 111.091 179.858 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.0 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.784 0.326 . . . . 74.32 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.455 ' HA2' ' HB3' ' A' ' 44' ' ' ALA . . . -111.69 99.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 64.41 112.48 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.658 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -146.79 114.27 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.89 0.376 . . . . 73.4 110.892 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 p -122.76 148.94 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 52.12 111.134 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.7 m -136.07 146.6 47.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -94.32 64.81 3.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 55.54 110.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.21 -90.33 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.771 -0.728 . . . . 63.01 112.487 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.91 172.11 9.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.972 0.415 . . . . 72.13 110.848 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.63 -31.35 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 75.15 111.115 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.53 83.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.4 111.113 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.76 -29.71 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 73.44 111.178 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -47.54 85.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 74.43 111.094 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -80.26 -26.57 38.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 63.42 110.927 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 t -52.24 -41.96 63.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 43.11 110.811 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.42 -62.21 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.822 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.658 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.82 -169.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 73.43 110.868 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -160.14 -62.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 61.13 111.105 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 158.71 173.87 27.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 71.12 112.46 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -33.65 16.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 65.13 112.335 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.67 24.03 12.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 65.32 111.084 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -134.44 136.28 43.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.969 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.8 m -113.39 128.72 56.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 53.2 110.905 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 17' ' ' ALA . 46.9 t -140.45 135.68 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 72.41 111.117 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.05 111.38 1.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 70.22 112.485 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -80.87 106.04 12.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.912 0.387 . . . . 75.22 110.919 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.7 m -100.93 -41.41 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 55.05 110.875 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.26 -113.88 3.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 72.52 112.437 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -131.98 96.81 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 53.42 110.866 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -153.27 -59.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 70.12 110.855 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.01 172.07 42.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 74.23 112.511 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.99 -40.99 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 75.24 111.114 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.29 -52.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 72.2 111.154 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -48.15 76.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 73.01 111.163 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -31.13 28.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 65.13 110.916 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -82.93 -43.85 16.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.918 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -51.91 -43.13 63.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.5 111.113 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -65.81 -55.79 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 63.03 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.11 -25.41 45.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 61.21 111.148 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -70.89 -32.91 70.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 36' ' ' ALA . 37.6 t -77.94 -31.65 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.079 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.83 -50.87 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.13 111.137 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -31.17 27.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.941 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.1 m -81.43 -36.56 29.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 65.11 111.145 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.455 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 70.4 111.089 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.85 0.357 . . . . 75.22 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -138.58 98.71 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 55.41 112.5 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.652 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -141.51 114.76 8.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 54.01 110.889 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.1 p -120.03 148.34 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.22 111.099 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 m -138.87 145.3 39.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 32.32 110.896 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -89.24 68.88 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.81 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.92 -79.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 73.21 112.472 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.83 174.35 10.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 73.02 110.887 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.9 m -75.43 -38.83 59.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 63.12 111.13 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.77 -40.44 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.118 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.4 -28.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 61.42 111.185 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.87 86.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.124 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -79.1 -27.03 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 63.02 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -52.23 -39.85 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 62.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -90.52 -60.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 72.43 110.858 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.652 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 t-20 51.8 -169.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.896 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -163.93 -57.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 35.33 111.14 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.93 170.15 18.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 73.14 112.458 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -24.23 29.93 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 2.233 . . . . 71.44 112.348 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.19 24.07 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 41.21 111.133 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -138.46 134.92 34.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.875 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.7 m -110.89 130.82 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 74.02 110.896 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 17' ' ' ALA . 51.9 t -139.24 138.45 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.51 111.09 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.32 110.39 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 74.23 112.485 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -87.78 106.33 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.909 0.385 . . . . 71.41 110.931 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.0 p -154.98 120.12 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 74.02 110.886 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.86 165.1 30.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 52.31 112.471 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.21 26.55 16.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 64.2 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -132.12 -72.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.843 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.67 160.04 25.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 41.24 112.53 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.1 t -57.53 -40.45 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 63.22 111.12 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.94 -52.23 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 72.15 111.104 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -48.89 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 70.14 111.138 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -31.34 29.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.847 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -83.0 -42.46 17.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.891 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.79 -50.42 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.2 111.097 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -55.47 -55.53 30.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 74.02 110.891 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.86 -25.6 43.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.32 111.104 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.57 -32.32 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 54.43 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -77.78 -33.8 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 72.12 111.114 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.32 -51.08 8.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 71.51 111.08 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -31.02 28.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.914 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.0 m -86.92 -36.1 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 43.04 111.165 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.2 111.071 179.871 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.339 . . . . 75.11 110.952 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.46 95.86 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 63.32 112.468 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.617 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -136.35 115.04 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 71.22 110.901 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.469 HG11 ' O ' ' A' ' 37' ' ' ASN . 12.2 p -118.96 150.61 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 70.43 111.116 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 56.2 m -138.44 149.84 45.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 45.03 110.83 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -95.68 54.81 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.889 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.26 -100.62 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 63.25 112.475 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.16 172.37 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 71.13 110.882 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -30.12 48.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 75.44 111.129 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -35.01 79.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 61.41 111.068 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -82.99 -28.71 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 51.3 111.1 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.95 83.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.101 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -79.55 -26.86 41.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 60.31 110.852 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -52.63 -30.59 32.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 55.34 110.877 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.99 -62.28 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 73.34 110.854 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.617 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.1 t-20 51.88 -169.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.862 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.529 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -168.47 -65.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.05 111.106 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.87 172.9 31.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 23.34 112.448 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -38.88 7.12 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 75.21 112.351 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.79 24.05 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 63.02 111.123 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -131.27 137.1 48.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.892 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.3 m -115.05 114.7 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 64.33 110.908 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 17' ' ' ALA . 46.8 t -122.51 138.81 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.51 111.14 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.71 107.79 0.78 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.707 -0.759 . . . . 51.55 112.457 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.89 113.41 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 71.05 110.929 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.5 m -121.9 102.44 8.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 44.3 110.875 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.66 -142.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 72.42 112.527 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -86.65 55.05 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 74.4 110.877 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -104.56 -59.72 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 65.43 110.906 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.31 -175.14 36.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 45.14 112.461 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.8 t -69.71 -38.71 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 70.31 111.115 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -53.29 -55.49 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 70.52 111.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -45.83 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 63.05 111.171 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -52.01 -31.69 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.869 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.04 -44.76 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.3 110.92 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.43 -40.7 71.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 70.24 111.111 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' HG11 ' A' ' 4' ' ' VAL . 8.7 m120 -64.3 -57.89 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 62.41 110.91 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.32 -25.28 48.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.093 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -70.53 -32.13 69.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 71.34 110.928 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 36' ' ' ALA . 24.6 t -77.8 -30.19 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 74.22 111.143 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.35 -51.84 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.52 111.078 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -52.69 -29.66 27.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.3 m -91.54 -25.31 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.42 111.174 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 71.23 111.087 179.841 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.824 0.345 . . . . 71.42 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.96 104.02 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.688 -0.767 . . . . 60.42 112.437 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.652 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -139.54 116.01 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.37 . . . . 72.01 110.874 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.4 p -113.42 148.57 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.31 111.149 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.2 m -139.15 150.08 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 63.12 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 t -91.08 57.16 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 71.15 110.822 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.74 -96.62 0.1 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 60.23 112.481 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.07 176.11 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 64.45 110.873 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.68 -38.22 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 54.41 111.122 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.68 -36.94 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 53.21 111.097 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -82.54 -30.15 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 70.31 111.105 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.81 80.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.101 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -78.22 -26.89 47.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 70.21 110.876 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.7 t -52.93 -29.65 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 70.01 110.823 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.22 -62.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.848 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.652 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.7 t-20 51.84 -169.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.894 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.514 ' HB2' ' CG2' ' A' ' 23' ' ' VAL . . . -160.69 -63.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.22 111.076 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.59 177.62 28.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 71.44 112.494 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -32.84 17.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 72.54 112.33 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.97 24.05 12.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 71.24 111.133 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -136.75 155.67 49.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.926 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.4 m -136.18 135.4 39.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.22 110.867 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.514 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 66.7 t -135.67 132.56 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 75.42 111.158 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.94 104.32 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 53.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -52.5 110.85 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.901 0.381 . . . . 74.34 110.932 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.7 m -134.78 97.56 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 65.35 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.96 -117.12 0.47 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 50.22 112.477 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -112.97 45.89 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 72.22 110.899 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -96.47 -33.41 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.84 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.61 153.4 5.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 74.14 112.516 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -52.2 -40.93 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.359 . . . . 71.41 111.102 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.6 t -52.02 -51.57 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.109 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -47.27 76.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 65.51 111.109 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -52.01 -31.79 31.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -82.99 -43.32 16.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 62.01 110.903 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.52 -46.03 77.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.15 111.088 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.28 -56.23 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 73.55 110.94 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.79 -25.59 42.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 65.04 111.082 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -71.28 -33.79 70.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.862 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 36' ' ' ALA . 38.9 t -77.93 -29.95 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 71.44 111.109 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.92 -51.91 6.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 53.42 111.102 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.5 -30.99 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 65.42 110.906 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.9 p -86.48 -38.18 17.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 71.12 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 53.43 111.097 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.81 0.338 . . . . 75.45 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.6 88.9 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 51.31 112.483 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.654 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -151.1 118.37 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 73.43 110.895 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.9 p -119.58 148.33 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 62.21 111.133 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.3 m -138.45 147.43 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.855 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 t -88.2 63.84 7.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 64.24 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.68 -81.7 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 43.21 112.465 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.17 177.81 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.398 . . . . 74.25 110.885 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -39.68 35.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 71.21 111.139 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.69 62.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.24 111.094 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.74 -28.82 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 44.11 111.132 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.21 86.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 24.03 111.128 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -78.93 -26.17 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.924 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -52.88 -31.27 38.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.876 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.48 -61.44 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.654 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.6 t-20 51.83 -169.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.496 ' HB2' HG21 ' A' ' 23' ' ' VAL . . . -161.97 -56.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.13 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.2 172.5 23.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 51.55 112.509 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -39.22 6.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.709 2.273 . . . . 64.33 112.322 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.88 24.06 6.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 62.14 111.076 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -131.06 164.75 24.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.11 110.901 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.5 m -141.9 127.23 18.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.909 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 ' HB2' ' A' ' 17' ' ' ALA . 86.3 t -133.96 132.15 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 70.54 111.173 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.16 113.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 63.13 112.467 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -69.51 126.02 28.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.951 0.405 . . . . 51.44 110.904 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.9 m -138.62 102.12 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 70.04 110.862 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.83 -131.25 0.34 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 75.4 112.522 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -95.77 48.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 63.22 110.909 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -99.74 -38.04 8.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 72.01 110.862 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.1 168.41 11.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 40.44 112.482 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.15 -31.53 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.23 111.104 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.09 -56.34 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 74.55 111.084 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -53.62 -45.01 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 73.42 111.147 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -32.62 35.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 70.22 110.826 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -82.97 -45.37 14.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.929 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.35 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 45.41 111.123 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -63.65 -54.85 29.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.16 -25.69 47.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.094 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -70.7 -32.33 69.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.938 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.5 t -77.61 -32.68 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 72.12 111.127 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.52 -51.63 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.111 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -29.75 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 74.33 110.877 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -87.01 -39.6 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.123 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 41.43 111.067 179.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 2.9 m0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.829 0.347 . . . . 73.5 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.17 105.45 0.66 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.752 . . . . 73.12 112.449 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.65 ' SG ' ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -147.46 118.75 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 75.13 110.87 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' ' 37' ' ' ASN . 11.8 p -126.86 150.43 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.44 111.115 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 m -138.24 142.56 39.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 74.04 110.843 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 t -80.71 72.66 7.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.863 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.48 -85.16 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.745 -0.741 . . . . 72.21 112.484 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -137.44 175.24 9.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.972 0.415 . . . . 71.43 110.853 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 p -76.54 -39.95 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 63.02 111.101 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.97 -38.84 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 55.54 111.043 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 p -83.89 -29.38 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.071 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.39 -50.2 70.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 74.21 111.065 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -72.69 -26.26 61.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.87 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -53.35 -31.29 43.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.8 -60.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.868 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 1.65 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 1.4 t-20 51.82 -169.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.869 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.33 -54.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.44 111.093 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.24 170.56 17.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 43.51 112.525 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -32.23 19.11 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.241 . . . . 75.33 112.359 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.66 23.99 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.109 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -137.55 139.02 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 65.32 110.928 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.8 m -116.19 120.85 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 70.21 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.9 t -132.63 115.5 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 62.04 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.23 99.23 1.1 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 60.5 112.513 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -82.35 110.74 17.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.953 0.406 . . . . 72.11 110.962 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 55.6 m -104.11 -61.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 73.05 110.885 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.85 -102.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 70.54 112.47 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -145.0 32.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 74.13 110.883 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -84.79 -27.38 26.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 72.04 110.898 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 144.24 167.02 11.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 64.51 112.494 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.96 -43.49 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.884 0.373 . . . . 65.05 111.1 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.89 -55.55 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 60.43 111.159 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -46.7 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 71.1 111.127 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -52.05 -30.1 24.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 60.3 110.842 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -79.55 -47.5 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 73.04 110.908 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.32 -50.0 63.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.133 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' O ' HG11 ' A' ' 4' ' ' VAL . 9.6 m120 -52.22 -57.54 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.855 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -25.28 61.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.073 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -71.8 -33.13 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.04 110.881 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.87 -32.66 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 60.14 111.109 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.5 -51.41 7.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 42.1 111.12 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -51.97 -30.06 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.42 110.866 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.2 m -86.09 -37.02 19.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 73.45 111.176 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 45.22 111.102 179.856 . . . . . . . . 0 0 . 1 stop_ save_