data_2cup_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2cup _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.8 t -93.1 145.98 24.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.5 m -96.71 -14.02 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.25 -56.14 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.2 p -94.46 -1.93 52.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 52.64 29.96 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -111.22 156.5 40.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 141.3 44.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 16' ' ' GLY . 72.4 mt -104.68 138.91 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.463 ' N ' HG21 ' A' ' 15' ' ' ILE . . . -82.77 173.15 52.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -44.02 21.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 111.077 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.72 -36.45 75.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 p -59.6 120.17 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -68.55 105.29 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -106.25 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.6 t -123.52 106.21 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -90.51 117.94 29.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 18.6 t80 -152.6 136.91 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 10.3 mmpt? 51.77 46.81 25.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 57.95 33.45 23.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.574 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.6 mtt85 -129.96 -178.49 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 22.5 m-85 -158.92 127.54 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.1 m-90 -125.37 139.55 53.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -65.27 151.05 47.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -50.66 -18.05 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.3 t -105.48 -16.48 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.5 m -88.83 -46.66 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 34.1 t80 -59.61 104.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 18.4 ptt180 -163.73 168.57 19.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.15 167.32 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.68 -9.97 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -104.48 -48.37 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.0 p -103.98 -9.24 19.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 2.0 mm? 57.59 48.71 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -107.18 132.06 21.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 116.28 4.49 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 1.7 mm? -86.94 25.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.0 79.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -115.66 -6.96 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.22 148.08 44.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.446 ' OG1' ' ND2' ' A' ' 58' ' ' ASN . 22.3 p -51.45 166.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -145.55 164.01 32.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.409 ' CG1' ' HE3' ' A' ' 51' ' ' LYS . 38.8 t -141.39 131.84 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.41 113.51 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HE3' ' CG1' ' A' ' 49' ' ' VAL . 2.0 mptm? -135.82 137.63 41.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 55.61 43.14 28.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 55.3 39.6 31.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -141.75 134.46 28.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.0 mm -87.06 131.67 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -147.72 159.67 43.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.7 p -98.78 164.91 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.446 ' ND2' ' OG1' ' A' ' 47' ' ' THR . 1.7 p30 -62.09 -33.81 75.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -62.0 -31.06 71.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.1 m -91.56 -45.14 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 120.879 0.283 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -129.33 143.94 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.3 t -78.16 167.21 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.0 tmtm? -114.93 -23.13 9.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.03 -33.7 28.81 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.54 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.5 p -123.79 -17.14 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 62.11 48.91 4.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -118.79 147.73 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.61 113.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.456 ' CD1' HG23 ' A' ' 89' ' ' VAL . 90.7 mt -81.95 152.83 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.96 145.2 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.87 -58.48 7.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.41 -40.68 92.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.61 154.13 7.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.832 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -80.89 124.51 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.53 159.93 41.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.565 HG12 ' CD1' ' A' ' 95' ' ' PHE . 29.7 t -122.16 108.39 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -92.16 133.36 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 24.4 t80 -126.34 -77.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.553 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 21.1 mtpp -123.65 87.73 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.98 -46.39 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.413 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 m -100.73 148.99 24.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.456 HG23 ' CD1' ' A' ' 76' ' ' ILE . 0.8 OUTLIER -122.18 128.32 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.8 m95 -100.78 135.62 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -46.78 144.85 2.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -38.43 -36.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.44 -56.17 4.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 72.6 m -48.34 -34.5 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.565 ' CD1' HG12 ' A' ' 83' ' ' VAL . 15.4 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.0 t -88.62 149.73 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 m -96.73 -23.0 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 2.7 tm-20 -79.57 -55.96 4.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' ARG . 23.7 p -95.34 9.13 41.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' CYS . 5.0 mtm105 37.6 32.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' CYS . 16.4 mttm -111.87 158.9 35.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 138.41 37.63 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.34 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 30' ' ' HIS . 61.5 mt -103.28 149.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -109.39 151.2 17.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.49 95.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -56.45 -34.09 66.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -81.59 121.13 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 104.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -99.01 174.51 6.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.9 t -130.47 106.54 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -94.22 121.79 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 19.2 t80 -152.6 134.41 14.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 40.7 mmtt 51.66 46.31 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 60.29 37.98 20.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.563 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.8 mmm180 -131.08 -178.31 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.4 m-85 -161.2 122.2 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.6 m-90 -125.26 139.02 54.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 15' ' ' ILE . 15.6 m80 -65.31 158.97 24.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -19.55 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -105.83 -13.3 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.9 m -90.31 -45.8 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -62.02 104.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -159.91 172.93 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.9 t -67.64 167.58 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.18 -18.35 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.052 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -97.09 -44.56 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.1 p -103.0 -21.07 13.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mt 67.11 54.97 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.4 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 12.9 t60 -118.36 138.34 25.59 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.521 0.677 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.9 Cg_endo -69.73 109.87 2.41 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -84.61 27.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.42 -61.88 2.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -82.64 -20.17 36.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -101.18 174.77 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -87.81 163.89 16.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -136.4 165.82 24.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.5 t -136.73 122.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.23 111.56 23.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -140.17 141.95 35.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 51.46 39.53 24.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 53.81 41.99 31.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -146.34 130.31 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -78.01 129.01 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt -146.41 157.65 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.5 p -99.91 161.39 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -50.24 -41.84 50.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -53.54 -53.57 49.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.4 m -66.55 -57.45 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.8 0.25 . . . . 0.0 112.398 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' C ' HD12 ' A' ' 76' ' ' ILE . 21.8 pttp -141.57 157.35 45.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.6 t -95.76 162.6 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 21.9 tptt -115.21 -27.99 7.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.24 -36.63 93.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.539 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.7 p -124.7 -21.83 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.0 t80 73.74 51.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -123.69 142.84 50.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.51 119.06 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.07 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 77' ' ' VAL . 94.3 mt -83.19 151.22 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.46 ' N ' HG23 ' A' ' 76' ' ' ILE . 40.3 t -106.03 142.0 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.443 ' N ' HG13 ' A' ' 77' ' ' VAL . . . -48.51 -55.05 12.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.01 -36.44 90.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.33 139.87 51.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -77.75 114.16 16.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.42 ' CG ' HG22 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -110.33 156.99 19.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.9 t -121.23 112.2 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -95.69 111.02 23.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 86' ' ' LYS . 21.6 t80 -98.13 -72.02 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 85' ' ' TYR . 20.8 mttm -126.58 64.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.94 -32.22 3.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.68 126.36 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 111.171 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.09 140.45 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.582 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 11.2 m95 -127.74 138.85 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 93' ' ' ASP . 24.3 m170 -53.5 127.19 24.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' HIS . 37.0 tptt -36.54 -29.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 91' ' ' HIS . 43.8 m-20 -81.62 -53.99 5.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.5 m -53.34 -32.01 47.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 t -112.72 145.53 40.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.392 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.41 ' CG2' ' NE1' ' A' ' 29' ' ' TRP . 5.9 m -95.24 -7.45 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -56.16 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 p -104.16 11.98 34.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 46.32 28.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -109.62 154.59 42.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.555 0.693 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 142.55 48.29 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.344 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.412 HG12 ' NE2' ' A' ' 30' ' ' HIS . 56.6 mt -105.69 145.32 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.19 171.8 31.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.434 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.52 -49.23 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.74 -33.3 66.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.3 p -74.26 121.8 21.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -66.15 104.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -95.93 168.95 10.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.81 104.36 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -92.42 115.9 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -152.43 128.13 10.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 60.89 44.54 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.1 m120 59.5 34.0 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 2.6 mmp_? -128.61 -178.72 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 26.5 m-85 -160.5 121.87 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.546 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.5 m-90 -120.75 144.43 48.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.412 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.2 m80 -64.24 160.86 17.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -7.58 4.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -119.56 -15.82 8.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -86.5 -37.96 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -67.02 105.26 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -159.39 173.89 15.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.8 t -68.0 169.94 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.46 -9.53 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -108.34 -49.91 3.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.6 p -104.52 1.24 29.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp 47.18 46.04 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.536 ' CD2' ' HD2' ' A' ' 42' ' ' PRO . 3.8 t60 -102.04 131.75 22.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.536 ' HD2' ' CD2' ' A' ' 41' ' ' HIS . 53.4 Cg_endo -69.74 121.86 8.55 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.3 15.82 28.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.13 -56.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -107.93 -0.67 21.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.34 167.6 10.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.0 p -79.76 141.3 36.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -132.29 170.16 15.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.6 t -141.54 129.09 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.41 109.23 22.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -138.96 154.11 48.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 45.2 39.4 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 52.45 43.23 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -147.58 150.89 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.3 mm -93.34 123.53 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -137.42 161.03 37.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.2 p -102.08 150.35 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -43.43 -50.31 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.0 -55.55 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.9 m -63.65 -57.88 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.871 0.279 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' C ' HD13 ' A' ' 76' ' ' ILE . 15.9 ptmt -130.77 149.11 52.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 10.8 t -88.36 167.75 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 5.2 tmtt? -118.28 -26.27 6.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.3 -34.8 57.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.4 p -124.19 -21.18 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 71.78 51.41 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -126.92 158.11 37.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.87 118.38 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.477 HD11 ' CG2' ' A' ' 89' ' ' VAL . 48.5 mt -90.66 146.37 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.0 t -122.69 140.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.41 -65.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.13 -45.5 20.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -58.88 136.66 57.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.716 0.293 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -63.61 124.29 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.444 ' ND2' ' CG2' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -144.97 154.1 42.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 25.6 t -111.57 106.77 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 35.1 tt0 -88.76 125.98 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -147.87 113.81 5.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.1 mttm 57.58 54.31 6.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.96 -47.15 2.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.5 p -82.17 126.46 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.8 OUTLIER -113.65 129.89 68.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.1 m95 -111.82 129.05 56.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 92' ' ' LYS . 23.1 m80 -40.24 142.62 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 91' ' ' HIS . 38.2 tptt -36.69 -36.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.55 -58.99 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 61.7 m -40.79 -46.36 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.425 ' C ' HD13 ' A' ' 15' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 13.3 t -89.08 152.46 21.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -97.0 -8.54 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -93.77 -57.96 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 13' ' ' LYS . 13.9 p -104.69 21.09 17.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' CYS . 21.4 mmt85 30.99 37.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' CYS . 21.3 mttp -105.32 158.36 32.35 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.543 0.687 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 135.72 31.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.425 HD13 ' C ' ' A' ' 7' ' ' GLY . 71.5 mt -102.89 134.81 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.69 139.54 14.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.29 64.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -58.19 -34.22 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -74.58 127.06 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.94 104.92 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -101.04 152.48 20.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.42 103.45 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -90.4 116.63 28.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 17.3 t80 -152.47 137.26 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 55.7 mmtt 55.32 45.4 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 57.98 27.22 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.589 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.4 mmt180 -128.55 -179.68 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 7.3 m-85 -154.47 128.56 8.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.589 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.3 m-90 -122.42 139.1 54.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 38.6 m80 -62.56 157.33 20.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -13.58 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.6 t -110.41 -19.75 12.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.4 m -85.03 -44.54 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -59.39 99.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -156.87 171.84 19.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.3 t -65.7 164.43 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.5 -8.9 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -106.94 -45.56 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.1 p -104.7 -8.86 18.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.5 mm? 54.92 52.59 11.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.445 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 68.8 t60 -114.98 139.32 24.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.75 126.2 13.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 43' ' ' LEU . 2.4 mm? -101.54 15.35 29.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.0 -37.21 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -115.99 -5.45 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -116.74 146.18 42.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.2 p -55.28 160.46 2.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.411 ' C ' HG22 ' A' ' 49' ' ' VAL . 39.5 p90 -138.21 168.91 18.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.411 HG22 ' C ' ' A' ' 48' ' ' PHE . 61.2 t -141.0 133.85 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.79 114.3 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -140.61 132.77 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 55.82 42.08 29.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 53.93 39.72 30.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -142.57 130.83 22.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.7 125.26 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.9 mt -138.26 152.61 48.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 p -102.3 165.5 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -53.68 -53.02 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -41.52 -44.21 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.7 m -75.85 -64.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.853 0.272 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 165.78 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.4 t -109.33 161.97 14.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.7 tptm -113.27 -25.15 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.87 -30.17 59.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.8 p -125.89 -16.39 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 61.78 49.38 4.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -126.66 150.71 48.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.93 116.42 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.427 HG12 ' NE2' ' A' ' 91' ' ' HIS . 38.4 mt -76.94 138.99 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.6 t -73.53 143.74 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.37 -51.88 24.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.09 55.99 3.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.18 139.78 52.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -73.54 93.33 2.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.462 ' HB3' ' CG1' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -98.69 153.63 18.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 t -116.17 110.17 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -84.68 130.65 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -151.27 105.56 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.22 25.34 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.28 -36.56 3.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.3 p -83.32 126.15 32.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 111.178 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 82' ' ' ASN . 2.9 t -93.74 141.36 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 5.2 m95 -131.7 134.48 45.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' ASP . 26.8 m80 -53.69 130.32 36.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' HIS . 0.7 OUTLIER -34.45 -31.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 91' ' ' HIS . 26.9 t0 -82.87 -53.84 5.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.2 m -52.06 -43.12 63.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.536 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 17.3 t -95.25 147.93 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 m -97.27 -9.4 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.13 -56.58 3.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 p -105.34 14.46 28.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 39.94 37.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -110.26 156.65 39.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 142.78 48.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 HG21 ' N ' ' A' ' 16' ' ' GLY . 94.4 mt -111.67 144.12 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.47 ' N ' HG21 ' A' ' 15' ' ' ILE . . . -95.26 -178.59 37.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.29 -43.66 12.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -68.66 -30.01 68.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -68.08 133.17 48.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -66.09 103.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.66 157.3 17.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.402 HG22 ' CD2' ' A' ' 34' ' ' PHE . 53.9 t -122.22 104.22 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.44 113.63 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -151.3 137.51 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt 54.96 43.09 30.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 59.21 26.97 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.57 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.0 mtt180 -128.49 177.03 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 16.2 m-85 -149.61 130.43 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.8 m-90 -124.68 140.55 52.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 42.1 m80 -65.7 150.63 48.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -49.85 -20.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 p -102.36 -19.37 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.4 m -87.23 -48.09 8.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CD2' HG22 ' A' ' 22' ' ' VAL . 39.6 t80 -55.7 98.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -159.63 166.35 30.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.6 t -59.05 172.6 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.63 -19.93 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -92.36 -53.03 4.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.9 p -99.2 -18.27 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt 67.94 52.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -113.13 132.05 22.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 0.0 110.885 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 116.62 4.65 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.19 27.12 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.89 -60.28 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -92.91 -13.92 28.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -93.82 177.4 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.6 m -102.78 154.39 19.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -137.26 178.43 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.8 t -138.43 123.29 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.35 108.82 17.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -139.87 148.22 41.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 47.65 41.25 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 m120 51.77 38.48 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -147.24 147.5 30.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.9 127.55 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -136.46 150.58 48.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.4 p -91.77 161.5 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -55.27 -43.99 75.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -33.63 66.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.2 m -80.36 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.847 0.269 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.11 158.93 36.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.1 t -101.77 165.2 11.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HG2' ' CH2' ' A' ' 90' ' ' TRP . 26.2 tptt -113.91 -23.02 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.18 -40.56 28.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.537 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.8 p -121.98 -13.77 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 62.3 52.34 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -123.23 153.06 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.72 106.03 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.0 mt -68.6 142.37 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 63.8 t -102.66 152.41 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.58 -66.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.58 -41.99 34.74 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -56.21 157.22 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.803 0.335 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -90.0 128.77 36.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.557 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 1.2 p30 -131.2 176.17 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.572 HG13 ' CD2' ' A' ' 95' ' ' PHE . 19.9 t -139.82 112.25 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 4.8 tt0 -102.45 134.92 44.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -123.61 -80.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -120.15 91.32 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.24 -47.74 1.7 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.4 m -96.8 155.93 16.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.557 ' CG2' ' HB2' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -133.58 126.17 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.498 ' CH2' ' HG2' ' A' ' 70' ' ' LYS . 2.5 m95 -100.39 145.95 27.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -53.95 149.23 9.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -46.83 -30.25 2.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -85.81 -50.45 7.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 87.8 m -51.47 -44.11 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.572 ' CD2' HG13 ' A' ' 83' ' ' VAL . 1.8 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -94.11 143.25 26.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.942 0.401 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 m -95.13 -5.72 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.32 -55.65 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 p -98.18 1.64 47.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? 51.72 26.4 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -108.11 157.55 35.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.43 48.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 30' ' ' HIS . 61.4 mt -108.53 147.37 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.61 142.96 16.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.3 -48.92 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.094 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.04 -33.69 75.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 m -64.72 131.4 46.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -63.9 103.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -111.05 157.87 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 t -117.33 104.12 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -91.11 117.69 29.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -152.19 121.26 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.95 49.46 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 56.65 31.22 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.639 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 32.9 mtt85 -126.64 -178.78 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.1 m-85 -161.43 126.91 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.549 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.8 m-90 -125.52 140.18 52.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 15' ' ' ILE . 14.1 m80 -64.25 156.35 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -55.99 -13.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -111.78 -17.62 12.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.6 m -86.41 -40.22 15.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -65.75 105.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 40' ' ' LEU . 5.2 ptp85 -163.12 171.23 16.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.33 167.08 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.26 -15.14 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -100.75 -48.4 4.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.11 -9.17 21.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER 53.32 54.4 10.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 11.2 t60 -114.74 142.07 27.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.75 113.14 3.27 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -90.24 20.68 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.29 -62.07 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -81.83 -19.03 41.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -102.41 176.68 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.7 m -82.36 155.57 24.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -130.54 158.99 38.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.436 ' CG1' ' HD3' ' A' ' 51' ' ' LYS . 77.7 t -134.43 140.92 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.56 111.82 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 6.1 mptt -141.02 135.22 30.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.63 34.43 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.1 m120 60.24 41.1 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -146.01 133.33 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.9 mm -82.96 133.27 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.0 mt -146.39 167.5 23.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.6 p -110.65 158.3 18.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -52.51 -45.62 66.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -50.03 -36.88 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.5 m -86.37 -63.17 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.848 0.27 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.41 157.62 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.4 t -97.05 164.45 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.9 tptm -111.28 -21.45 11.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.49 -34.82 34.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 7.8 p -122.07 -24.97 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 t80 74.22 49.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -121.85 164.3 17.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.89 105.19 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 77' ' ' VAL . 61.6 mt -70.78 137.51 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.443 ' N ' HG23 ' A' ' 76' ' ' ILE . 91.6 t -109.25 152.52 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.56 -60.41 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.99 -37.71 86.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.1 111.7 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.743 0.306 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.476 ' HB3' ' CG ' ' A' ' 92' ' ' LYS . 12.1 mm-40 -39.79 147.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.403 HD21 ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -154.23 156.97 38.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.502 HG13 ' CD2' ' A' ' 95' ' ' PHE . 22.0 t -127.41 108.15 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 3.4 tt0 -98.12 128.13 44.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 86' ' ' LYS . 3.1 t80 -114.24 -77.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 85' ' ' TYR . 34.6 mttm -134.59 84.74 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.1 -39.79 2.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.3 p -105.48 126.79 52.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 111.115 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -110.2 123.23 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.8 m95 -104.89 140.36 38.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.419 ' NE2' HG12 ' A' ' 76' ' ' ILE . 27.6 m80 -49.73 158.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 81' ' ' GLN . 8.1 mmmt -59.95 -24.7 64.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.74 -35.2 16.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.9 m -72.42 -30.45 64.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.502 ' CD2' HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 33.1 t -88.7 147.4 24.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.28 -22.81 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -73.13 -55.2 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.4 p -97.9 -2.57 40.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 53.85 31.08 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -107.85 156.87 37.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.572 0.701 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.46 45.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.407 HG12 ' NE2' ' A' ' 30' ' ' HIS . 85.6 mt -108.79 142.02 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.81 164.48 18.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -48.65 68.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -58.56 -36.43 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -69.26 129.86 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -68.02 105.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -103.9 152.83 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.69 103.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -88.85 117.24 27.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -152.98 126.0 8.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? 62.77 43.55 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 59.88 31.82 20.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 29' ' ' TRP . 43.9 mtt85 -130.24 -178.22 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -156.49 128.48 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 27' ' ' ARG . 31.2 m-90 -126.52 140.74 52.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.8 m170 -65.66 157.07 30.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -22.64 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.0 p -101.91 -15.87 16.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.66 -48.83 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -58.48 97.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' HB2' ' C ' ' A' ' 41' ' ' HIS . 10.8 ptp85 -154.14 176.18 12.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 t -70.8 168.51 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.91 -13.81 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -99.98 -49.41 4.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.3 p -100.8 -11.99 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 60.6 49.41 6.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.417 ' C ' ' HB2' ' A' ' 35' ' ' ARG . 6.1 t60 -110.6 132.93 21.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.732 . . . . 0.0 110.828 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 111.87 2.91 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.691 2.261 . . . . 0.0 112.404 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.52 25.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.09 80.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -111.08 3.6 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -114.64 170.86 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 p -75.91 158.09 32.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -148.43 162.12 40.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.448 HG11 ' N ' ' A' ' 50' ' ' ALA . 98.7 t -139.97 137.25 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' N ' HG11 ' A' ' 49' ' ' VAL . . . -106.33 108.62 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -141.46 137.44 32.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 61.81 41.97 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 49.03 36.64 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -142.47 139.96 31.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -83.7 133.24 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.6 mt -144.2 164.57 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.2 p -106.91 170.17 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -63.68 -44.71 92.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -51.05 -37.53 46.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' THR . 60.7 m -84.08 -62.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' CYS . 70.5 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.884 0.285 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.74 154.97 35.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 91' ' ' HIS . 47.5 t -92.8 163.22 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.63 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -111.44 -30.35 7.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.91 -48.4 81.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.28 -13.95 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.487 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 40.3 m-85 63.73 50.8 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -123.65 143.31 50.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.8 123.76 14.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.434 HG22 ' CG ' ' A' ' 82' ' ' ASN . 94.7 mt -81.61 149.33 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 78' ' ' ALA . 58.7 t -103.63 144.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.437 ' N ' HG11 ' A' ' 77' ' ' VAL . . . -53.4 -56.2 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.45 92.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.53 141.62 58.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.431 ' C ' ' OD1' ' A' ' 82' ' ' ASN . 8.1 mm100 -71.01 138.75 50.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.434 ' CG ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -136.25 151.12 49.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 17.1 t -122.07 108.59 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.489 ' HB2' ' CG1' ' A' ' 89' ' ' VAL . 25.6 tt0 -86.86 118.72 26.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.89 62.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt 66.42 37.08 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.63 -77.18 0.23 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -80.18 148.76 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.489 ' CG1' ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -113.41 113.44 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.63 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 15.0 m95 -93.79 134.9 35.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 93' ' ' ASP . 39.4 m80 -51.48 127.56 20.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' HIS . 39.6 tptt -34.74 -31.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 91' ' ' HIS . 17.1 m-20 -78.75 -59.93 2.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 66.3 m -48.78 -33.24 9.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.2 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 14.6 t -89.32 151.76 21.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.472 HG13 ' CE2' ' A' ' 29' ' ' TRP . 1.0 OUTLIER -96.94 -13.64 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -93.93 -57.16 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' ARG . 26.2 p -97.08 14.86 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 31.5 42.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 22.3 mmtt -116.73 158.03 44.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.45 30.53 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.381 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 16' ' ' GLY . 52.6 mt -104.12 153.32 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 15' ' ' ILE . . . -108.93 146.46 16.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.49 -49.34 67.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -55.97 -33.4 64.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -73.3 143.25 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -73.67 104.54 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.95 147.87 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.6 104.02 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 23' ' ' HIS . 6.6 t-160 -88.75 114.42 25.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -152.79 140.82 20.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 53.42 42.47 31.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' O ' ' CZ ' ' A' ' 27' ' ' ARG . 2.2 m120 59.65 27.4 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.584 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.5 mmp_? -128.59 -178.92 4.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.5 m-85 -154.01 124.31 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.9 m-90 -119.37 139.62 51.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' NE2' HG12 ' A' ' 15' ' ' ILE . 9.7 m80 -60.81 161.77 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -60.78 -12.71 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.1 p -113.95 -16.8 12.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.2 m -85.66 -38.41 18.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.26 100.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -157.99 174.59 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.83 169.21 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.72 -14.22 13.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -98.13 -50.99 4.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.0 -15.58 17.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mt 65.26 54.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 42' ' ' PRO . 17.3 t60 -119.22 134.3 23.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.823 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 53.3 Cg_endo -69.75 127.7 14.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.287 . . . . 0.0 112.306 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.464 HD21 ' N ' ' A' ' 43' ' ' LEU . 1.5 mm? -99.37 18.49 17.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.15 -62.25 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.19 -15.11 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -98.48 -179.1 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.7 m -92.72 151.2 20.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -134.47 161.98 33.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.4 t -133.76 134.01 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.63 111.22 23.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -139.23 148.28 42.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 44.51 42.03 5.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t30 52.18 42.24 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -144.58 145.0 31.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -92.17 126.79 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -141.5 160.2 40.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.3 p -104.29 156.45 17.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -47.69 -56.48 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -40.86 -41.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.4 m -78.66 -62.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.902 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.798 0.249 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' HD11 ' A' ' 76' ' ' ILE . 6.1 mtmp? -138.21 130.26 28.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.437 ' N ' HD11 ' A' ' 76' ' ' ILE . 36.7 t -64.32 164.0 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.599 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 6.0 tmtm? -111.26 -28.31 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.5 -42.78 47.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -110.57 -23.95 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 71.83 43.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -116.28 152.56 33.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.82 117.07 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.437 HD11 ' N ' ' A' ' 69' ' ' CYS . 81.1 mt -84.0 156.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.1 t -124.57 144.89 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.98 66.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.7 -40.62 99.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.56 172.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.41 93.0 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.483 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -104.68 160.49 14.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 25.0 t -119.14 106.41 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 58.3 tt0 -88.92 134.05 34.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -128.11 -74.87 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -125.62 87.22 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.01 -46.54 2.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -101.78 151.74 21.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.483 ' CG2' ' HB2' ' A' ' 82' ' ' ASN . 0.8 OUTLIER -122.03 126.3 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.599 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.7 m95 -100.91 132.06 46.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 90' ' ' TRP . 22.2 m170 -39.99 161.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -72.26 3.4 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -119.27 -33.29 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.46 -42.39 74.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 t -102.66 146.32 28.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.409 ' CG2' ' NE1' ' A' ' 29' ' ' TRP . 19.9 m -96.07 -6.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -56.68 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.49 13.69 29.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.34 34.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -112.32 154.82 44.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.48 47.91 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.238 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.0 mt -106.46 144.31 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.52 145.5 18.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.52 80.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.42 -36.64 84.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -66.14 118.73 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -61.02 105.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -101.15 167.69 10.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.54 104.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.41 ' CD2' ' C ' ' A' ' 23' ' ' HIS . 7.1 t-160 -92.43 114.4 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.478 ' CE2' ' CE2' ' A' ' 48' ' ' PHE . 4.6 t80 -151.92 144.89 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 49.9 42.85 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 59.08 29.02 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.568 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 43.6 mtt85 -129.81 178.86 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -151.36 127.99 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.6 m-90 -124.68 141.0 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -63.85 159.77 18.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -59.89 -16.61 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.432 ' O ' ' NH2' ' A' ' 35' ' ' ARG . 28.6 p -108.44 -12.98 14.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.8 m -89.4 -50.42 6.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -56.34 101.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 32' ' ' THR . 5.9 ptp85 -160.19 159.52 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.3 t -54.36 169.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.15 -16.61 13.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -96.71 -50.7 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -100.44 -11.92 19.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.8 mm? 57.55 53.57 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 11.8 t60 -111.46 142.98 27.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 54.0 Cg_endo -69.74 111.5 2.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.42 24.0 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.38 94.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -111.66 4.39 18.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -116.16 159.52 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -74.24 152.36 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CE2' ' CE2' ' A' ' 24' ' ' TYR . 38.4 p90 -141.8 169.1 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.412 HG23 ' C ' ' A' ' 48' ' ' PHE . 91.6 t -140.55 134.99 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.79 108.77 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -141.38 141.43 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 54.37 40.26 31.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 51.86 35.75 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -140.5 140.97 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.09 128.34 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.3 mt -139.35 158.96 43.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.3 p -100.56 157.19 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -50.47 -47.04 57.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -48.26 -49.25 34.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.1 m -70.79 -60.61 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.5 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.848 0.27 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -134.42 162.89 30.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.0 t -105.34 165.2 11.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.3 tmtt? -114.65 -29.86 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -35.89 90.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.6 p -122.94 -26.03 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.1 t80 75.07 45.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -124.14 154.46 40.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.19 118.66 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.4 HG12 ' NE2' ' A' ' 91' ' ' HIS . 63.4 mt -84.59 145.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 78' ' ' ALA . 34.9 t -103.47 145.42 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' VAL . . . -63.2 -49.76 72.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.61 44.95 3.02 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 82' ' ' ASN . 29.3 m-20 -143.18 132.36 23.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -51.27 116.48 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 3.0 m-20 -136.86 160.83 37.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.524 HG12 ' CD2' ' A' ' 95' ' ' PHE . 19.9 t -121.1 108.76 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.521 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 2.9 tt0 -94.18 123.06 37.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.417 ' CD1' ' HB2' ' A' ' 86' ' ' LYS . 32.7 t80 -144.97 131.34 19.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.417 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 19.6 tttm 48.14 43.38 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.4 -47.74 3.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.6 p -78.56 127.84 32.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 0.0 111.165 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.521 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -110.83 119.64 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.573 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.7 m95 -100.46 136.68 39.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.4 ' NE2' HG12 ' A' ' 76' ' ' ILE . 28.8 m80 -48.06 140.71 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -43.04 -31.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.22 -46.33 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 97.2 m -58.36 -42.07 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.524 ' CD2' HG12 ' A' ' 83' ' ' VAL . 4.0 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 36.7 t -89.33 144.33 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 m -97.64 -19.77 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -79.68 -52.79 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.72 -10.49 29.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 21.1 mmt85 61.27 29.69 18.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -109.58 154.21 42.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.11 44.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.425 HG12 ' NE2' ' A' ' 30' ' ' HIS . 59.1 mt -108.19 137.23 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.43 159.05 23.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.83 90.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -57.48 -37.08 72.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.5 m -70.4 138.82 51.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -78.05 102.79 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -99.88 150.61 22.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.7 t -107.49 105.71 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -88.71 114.88 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.401 ' CE2' ' HE2' ' A' ' 48' ' ' PHE . 4.1 t80 -152.67 134.51 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt 55.69 44.15 26.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 58.32 33.04 22.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.59 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 34.7 mmt180 -131.87 -179.58 5.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 14.9 m-85 -154.48 124.9 6.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.3 m-90 -123.07 144.26 49.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.425 ' NE2' HG12 ' A' ' 15' ' ' ILE . 11.9 m170 -64.98 160.1 21.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.45 -2.79 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.3 p -121.25 -15.98 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -87.3 -49.03 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -55.74 107.77 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -155.72 173.9 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -70.26 169.26 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.38 -15.55 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -97.56 -49.63 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.5 p -103.51 -10.88 18.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.6 mm? 59.46 53.8 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.436 ' ND1' ' HD2' ' A' ' 42' ' ' PRO . 86.1 t60 -115.9 132.92 22.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.575 0.703 . . . . 0.0 110.854 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.436 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.7 Cg_endo -69.8 117.95 5.39 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 41' ' ' HIS . 1.5 mm? -95.24 26.42 3.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.15 -44.33 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -102.31 -14.28 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -106.26 177.95 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 p -83.91 164.08 19.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 24' ' ' TYR . 51.5 p90 -152.22 173.3 15.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 50' ' ' ALA . 58.7 t -143.52 138.49 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 49' ' ' VAL . . . -110.62 111.23 22.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -141.08 144.7 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t0 53.67 43.24 31.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 49.9 34.94 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -137.97 139.12 39.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.4 mm -86.54 129.34 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -143.47 167.04 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.6 p -106.84 161.9 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -55.06 -57.29 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -43.38 -37.3 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 30.7 m -76.19 -74.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.817 0.257 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -137.7 155.03 49.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.0 t -96.7 163.17 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 6.6 tptp -113.74 -29.21 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.21 -38.11 91.65 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 32.1 p -121.63 -11.92 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 62.92 48.5 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -118.16 149.8 40.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.92 108.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 77' ' ' VAL . 97.5 mt -72.27 133.36 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.423 ' N ' HG23 ' A' ' 76' ' ' ILE . 46.6 t -94.83 144.3 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.82 -52.94 21.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.14 92.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.82 156.02 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -100.9 106.54 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.8 165.16 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 41.0 t -123.94 107.44 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.473 ' N ' HG12 ' A' ' 89' ' ' VAL . 20.2 tt0 -80.31 106.37 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 84.9 t80 -108.67 96.9 6.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 19.6 mtpp 66.32 25.01 10.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.86 -53.79 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 p -74.88 125.76 29.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -94.22 142.22 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.58 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 8.7 m95 -130.3 130.41 44.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 92' ' ' LYS . 24.0 m80 -47.48 123.79 6.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 91' ' ' HIS . 16.8 tptp -32.89 -36.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 91' ' ' HIS . 7.4 m-20 -74.31 -51.86 13.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' HIS . 87.8 m -53.91 -39.62 65.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.1 t -82.56 146.77 29.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.561 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -96.38 -3.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.0 -56.65 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 8.5 p -100.22 6.2 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 47.74 26.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 10.5 mmtp -102.44 157.52 33.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 137.0 34.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 16' ' ' GLY . 75.0 mt -101.79 143.07 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' N ' HG23 ' A' ' 15' ' ' ILE . . . -95.37 159.1 22.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -48.01 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -58.83 -34.96 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -70.03 130.7 42.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -77.11 103.78 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.74 167.02 11.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.71 106.74 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -91.29 117.77 29.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.409 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 61.4 t80 -151.26 121.58 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 25.1 mmmt 65.23 53.79 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 52.72 31.33 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.577 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 13.4 mmp_? -129.2 -178.58 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 18.5 m-85 -160.29 126.09 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 28.4 m-90 -122.58 141.79 51.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.411 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.9 m80 -63.4 163.66 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.07 -11.5 30.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.9 p -114.5 -13.83 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.2 m -90.1 -43.23 10.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -61.75 98.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -157.28 177.4 11.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.6 t -72.12 163.99 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.58 -6.23 16.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.047 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -107.29 -43.71 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.401 ' C ' HD22 ' A' ' 40' ' ' LEU . 30.6 p -109.93 -3.18 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.4 mm? 51.77 54.78 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -117.85 133.63 23.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.708 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 126.76 13.73 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.11 33.01 4.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.42 -47.01 82.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -113.46 -0.34 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -104.18 173.55 6.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -81.46 148.32 29.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -139.76 155.47 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.5 t -130.68 141.34 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.33 109.28 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -139.97 134.25 31.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 60.09 43.33 14.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 m120 49.34 35.26 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -140.47 128.99 22.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.5 mm -77.21 134.48 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -146.38 158.75 43.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.4 p -104.66 169.41 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -55.48 -55.53 30.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -38.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.4 m -82.32 -60.3 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.85 0.271 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -129.2 165.85 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.0 t -106.93 167.33 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.576 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 15.9 tptm -115.95 -25.25 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.19 -42.66 35.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.2 p -120.03 -6.09 10.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.898 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 54.31 54.24 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -127.57 148.92 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.6 111.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.0 mt -73.19 133.04 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.2 t -87.02 138.17 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.91 -40.23 56.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.28 50.9 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -141.94 137.93 31.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.74 0.305 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -65.8 113.56 4.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -124.15 178.22 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 38.4 t -138.57 105.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 5.0 tt0 -94.43 128.3 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 12.7 t80 -117.11 68.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt 56.59 54.9 6.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.93 -82.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.2 p -78.07 125.59 29.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 111.199 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -114.22 134.51 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.5 m95 -116.79 145.87 43.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -52.52 142.15 18.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -39.63 -33.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -82.15 -46.44 13.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 93.6 m -57.52 -41.03 80.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CG ' HG12 ' A' ' 83' ' ' VAL . 6.0 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 t -87.27 143.38 27.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 m -95.12 -15.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -82.2 -56.48 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -97.48 6.08 48.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 45.11 33.92 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -112.04 155.26 43.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 140.7 43.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mt -104.83 138.37 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.31 -173.35 21.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.93 -43.39 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -89.89 22.64 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 m -104.53 131.95 51.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -63.55 104.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.27 165.6 12.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.2 t -125.02 105.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -91.87 117.76 30.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.409 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 35.8 t80 -152.43 133.77 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 15.1 mmmt 53.99 44.43 29.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 60.04 34.8 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.571 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 26.2 mmt85 -129.38 -179.11 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 16.0 m-85 -159.3 125.82 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.2 m-90 -125.4 139.64 53.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -63.99 151.95 41.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -15.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -109.2 -15.94 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.2 m -89.59 -43.71 10.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -58.72 97.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -156.9 164.93 37.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.14 165.62 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.06 -5.61 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -108.36 -48.45 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' C ' HD23 ' A' ' 40' ' ' LEU . 26.4 p -102.79 -11.39 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 39' ' ' CYS . 3.3 mm? 59.76 46.54 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 42' ' ' PRO . 23.2 t60 -107.7 140.19 21.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.43 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.82 124.57 11.18 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.617 2.211 . . . . 0.0 112.346 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.448 HD21 ' N ' ' A' ' 43' ' ' LEU . 2.7 mm? -97.37 16.94 18.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.25 75.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -115.98 -1.42 12.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 47' ' ' THR . 8.7 tp10 -120.15 146.61 45.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 3.0 m -58.8 147.33 33.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 24' ' ' TYR . 44.3 p90 -128.24 163.58 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.413 ' CG1' ' HE2' ' A' ' 51' ' ' LYS . 97.7 t -133.1 133.33 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.77 108.74 20.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HE2' ' CG1' ' A' ' 49' ' ' VAL . 42.9 mtmt -141.37 143.34 33.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 51.07 44.34 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 48.58 35.69 6.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -140.79 141.24 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.6 mm -86.7 132.08 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -147.75 158.69 44.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.6 p -102.04 150.71 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -48.46 -47.15 38.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -47.77 -36.04 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.33 -55.29 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.4 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.888 0.287 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -130.17 162.35 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.4 t -103.06 165.21 11.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.2 tptm -112.16 -24.25 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.79 -37.71 33.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.2 p -119.86 -23.93 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.9 t80 71.55 47.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -125.22 153.02 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.14 120.33 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.1 mt -86.49 140.43 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 78' ' ' ALA . 22.2 t -97.67 142.14 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.431 ' N ' HG11 ' A' ' 77' ' ' VAL . . . -57.79 -42.74 84.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.66 40.94 3.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.4 137.48 30.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.72 0.295 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.19 126.83 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.464 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 2.5 p30 -142.85 170.39 15.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' TRP . 15.0 t -141.25 116.3 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.518 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.4 tt0 -107.33 137.4 45.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -128.41 -80.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -111.95 85.47 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.92 -49.02 1.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.8 m -90.18 153.54 20.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.337 . . . . 0.0 111.133 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -129.47 122.71 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.563 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.7 m95 -94.8 150.58 20.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 94' ' ' CYS . 27.0 m80 -64.54 139.65 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' HIS . 29.7 tptt -38.11 -31.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' HIS . 4.2 m-20 -84.14 -44.62 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 91' ' ' HIS . 83.7 m -59.47 -39.87 85.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.436 ' CD2' HG13 ' A' ' 83' ' ' VAL . 2.0 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.8 t -93.81 142.1 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 m -94.26 -1.2 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -98.81 -56.28 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 p -97.71 5.61 49.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 47.83 27.03 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -109.06 154.65 41.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 139.7 40.69 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -99.12 137.89 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.63 152.72 44.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.51 -21.74 61.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.333 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.64 12.85 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 m -92.82 136.47 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 102.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -112.73 164.97 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.7 t -119.93 104.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -92.4 118.18 30.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -152.24 125.3 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? 60.57 44.64 11.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 60.98 36.19 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.553 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.0 mmm180 -129.01 -178.48 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 16.2 m-85 -161.57 121.05 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 29.9 m-90 -122.99 140.0 53.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -66.28 153.25 43.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -15.24 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 t -108.21 -17.46 14.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.6 m -88.6 -43.8 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.73 106.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.2 ptt85 -163.46 175.98 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 t -66.69 167.42 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.01 -11.73 15.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -105.91 -52.13 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.5 p -102.22 3.99 38.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mp 43.49 49.39 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -104.9 128.97 25.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.579 0.704 . . . . 0.0 110.845 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 126.78 13.72 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -111.27 27.27 9.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.74 -38.07 66.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -112.52 -2.91 14.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -109.68 176.64 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -87.67 148.97 24.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -135.08 160.24 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.4 t -128.02 128.79 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.33 109.4 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -138.19 138.82 38.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 53.84 42.57 31.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.3 m120 51.24 37.89 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -141.33 129.92 22.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -79.71 125.19 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -138.2 156.56 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.97 165.77 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -57.44 -35.98 70.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -57.98 -47.7 82.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 88.9 m -70.91 -57.44 4.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.844 0.268 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' HD13 ' A' ' 76' ' ' ILE . 6.5 ptmt -130.69 160.7 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.2 t -99.94 163.76 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 5.6 tmtt? -118.82 -21.42 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.88 -35.58 49.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.0 p -127.71 -13.79 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.368 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 64.67 54.87 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -129.49 151.32 50.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.19 122.75 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 89' ' ' VAL . 58.0 mt -89.87 141.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.3 t -104.53 146.46 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.41 83.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.22 35.92 2.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 6.4 m-20 -144.18 130.1 19.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -51.16 127.52 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 80' ' ' ASP . 6.3 m-20 -141.07 161.79 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.563 ' CG1' ' CD2' ' A' ' 95' ' ' PHE . 20.7 t -121.77 107.94 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 18.4 tt0 -93.07 123.97 36.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -145.0 127.92 16.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt 50.99 40.39 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.73 -48.72 3.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.3 p -77.85 129.98 36.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.88 124.34 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.8 m95 -104.51 141.78 35.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 94' ' ' CYS . 30.2 m80 -53.24 134.53 39.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 91' ' ' HIS . 30.2 tptt -33.89 -33.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' HIS . 3.6 p30 -83.3 -45.28 13.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 91' ' ' HIS . 85.2 m -61.13 -34.39 74.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 14.2 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 t -108.31 144.45 35.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.605 ' CG2' ' NE1' ' A' ' 29' ' ' TRP . 20.5 m -95.12 -2.72 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -55.61 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 p -107.06 12.74 28.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 45.26 35.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -113.12 155.5 44.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.686 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.15 44.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 30' ' ' HIS . 66.2 mt -104.38 126.56 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.22 175.42 52.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.09 -43.66 19.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -33.54 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 p -68.16 140.3 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 103.61 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -98.47 161.69 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.75 106.43 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 6.4 t-160 -91.06 121.37 32.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 21.0 t80 -152.81 130.49 11.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.39 46.29 23.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 59.47 36.34 23.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.571 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 14.3 mmm-85 -131.91 -177.86 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 13.5 m-85 -159.09 126.25 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.605 ' NE1' ' CG2' ' A' ' 9' ' ' VAL . 32.8 m-90 -125.48 144.49 50.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.8 m80 -68.2 161.47 27.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -62.56 -16.34 55.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.7 p -114.96 10.45 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.169 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 55.8 m -114.0 -35.55 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -72.02 104.82 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 2.5 ptp180 -155.73 175.74 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.8 t -69.02 164.49 22.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.71 -9.64 16.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -105.41 -48.3 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.1 p -102.74 -11.13 18.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 40' ' ' LEU . 2.6 mm? 59.25 53.29 5.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -118.56 137.23 24.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 126.17 13.0 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.387 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 43' ' ' LEU . 1.9 mm? -104.01 27.95 7.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -59.03 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -85.27 -18.69 33.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 43' ' ' LEU . 16.8 mm-40 -102.79 174.22 5.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -81.94 148.85 28.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.425 ' HB3' ' CB ' ' A' ' 43' ' ' LEU . 50.6 p90 -126.09 162.48 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.481 ' CG1' ' HD3' ' A' ' 51' ' ' LYS . 94.2 t -132.0 138.22 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.08 109.81 14.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 1.1 mptm? -139.37 123.81 18.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 72.47 41.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 53.62 34.03 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -137.31 129.51 29.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.94 132.61 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -146.81 170.03 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.65 167.62 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.11 -45.62 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -32.53 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 33.2 m -86.39 -57.28 3.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.869 0.279 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -139.45 158.49 44.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.0 t -94.94 166.04 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 19.8 tptt -114.29 -25.67 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.28 29.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.61 -13.42 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 61.77 46.72 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -116.53 157.74 24.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.57 119.14 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 83.6 mt -84.74 150.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.1 t -122.13 146.26 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.17 -62.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.98 -42.05 60.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.76 109.44 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -43.92 139.59 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 1.0 OUTLIER -144.25 173.99 11.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.53 HG11 ' CD2' ' A' ' 95' ' ' PHE . 22.1 t -135.4 107.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.5 tt0 -95.04 130.92 41.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' A' ' 86' ' ' LYS . 4.0 t80 -119.76 74.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HG2' ' CD1' ' A' ' 85' ' ' TYR . 7.9 mmtm 51.23 54.99 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.7 -82.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -77.99 129.57 35.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -116.97 129.42 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.58 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.6 m95 -110.1 148.8 31.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -56.8 143.39 37.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -46.31 -30.9 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -83.01 -44.97 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 99.4 m -60.3 -38.84 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.53 ' CD2' HG11 ' A' ' 83' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.1 t -96.1 144.54 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.443 ' CG2' ' NE1' ' A' ' 29' ' ' TRP . 12.7 m -95.11 0.05 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -105.11 -55.56 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -96.46 2.02 52.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 47.67 31.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -112.43 157.57 39.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.24 44.63 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -106.12 144.32 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.66 172.01 30.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.12 -48.66 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.332 . . . . 0.0 111.081 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.72 -32.39 73.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 p -66.58 124.81 23.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -61.28 101.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -103.64 155.62 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -117.8 103.72 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -88.88 113.42 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.497 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 9.5 t80 -151.95 128.65 10.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 10.8 mmmm 61.99 47.11 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 57.29 25.69 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.529 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 38.4 mtt180 -124.02 179.76 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 14.6 m-85 -155.69 128.08 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.529 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.0 m-90 -123.86 142.18 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -66.46 158.32 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -58.23 -12.13 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 p -113.37 -14.58 12.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.2 m -91.81 -36.52 13.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -69.64 99.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -155.04 -179.22 7.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.12 168.88 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.95 -14.08 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -103.67 -40.15 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.7 p -110.53 -11.72 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mp 60.2 40.44 18.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.423 ' ND1' ' HD2' ' A' ' 42' ' ' PRO . 77.5 t60 -100.78 136.79 19.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.823 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.9 Cg_endo -69.78 125.0 11.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -101.15 13.64 34.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.24 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -97.46 -12.74 22.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -102.83 -178.14 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.6 p -88.44 154.81 20.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -136.55 160.36 39.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.2 t -135.67 126.92 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.48 109.19 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -139.64 149.14 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 42.61 43.06 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 52.6 40.06 29.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -145.27 127.06 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -80.33 132.69 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.0 mt -142.87 162.48 35.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.5 p -104.81 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -70.41 -41.6 72.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -56.42 -30.65 63.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.6 m -91.89 -63.63 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.876 0.282 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.18 155.35 38.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.5 t -98.47 165.61 11.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 18.4 tptp -115.12 -22.54 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.93 -38.41 56.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.1 p -122.7 -18.41 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.4 t80 72.12 50.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -130.07 156.92 43.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.36 126.88 28.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 77' ' ' VAL . 52.1 mt -95.39 138.46 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.426 ' N ' HG21 ' A' ' 76' ' ' ILE . 17.6 t -102.78 149.78 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.44 -60.23 4.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.03 -37.09 7.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.56 163.63 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.466 ' HG3' ' CB ' ' A' ' 92' ' ' LYS . 5.3 pm0 -86.12 139.6 30.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.42 164.01 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.526 HG13 ' CD2' ' A' ' 95' ' ' PHE . 34.7 t -129.98 106.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 2.2 mt-10 -87.13 133.14 33.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -148.09 108.26 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.2 mttm 61.41 39.64 14.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.24 -50.78 1.88 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 p -79.04 128.71 33.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.08 150.06 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 70' ' ' LYS . 8.9 m95 -131.6 140.18 49.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' CYS . 27.3 m80 -49.99 132.53 23.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.466 ' CB ' ' HG3' ' A' ' 81' ' ' GLN . 45.0 tptt -34.33 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' HIS . 1.4 m-20 -84.1 -44.63 13.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 91' ' ' HIS . 36.2 m -58.01 -44.13 87.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.526 ' CD2' HG13 ' A' ' 83' ' ' VAL . 10.2 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 14.7 t -101.13 150.78 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 m -99.57 -10.76 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -86.66 -57.85 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 14.3 p -102.36 9.87 39.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 20.5 mmt85 45.31 35.18 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 21.3 mmtm -111.35 156.59 40.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 141.67 46.17 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.452 HG12 ' CD2' ' A' ' 30' ' ' HIS . 72.4 mt -106.02 133.04 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.2 151.63 23.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.01 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.731 0.3 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.82 -36.97 70.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -72.43 128.22 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -59.21 105.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.0 156.41 18.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 28' ' ' PHE . 21.8 t -114.77 155.23 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -140.12 114.18 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.46 141.72 20.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm 49.79 47.24 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 55.54 31.23 16.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.509 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 13.3 mtp85 -128.12 179.77 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 42.8 m-85 -154.88 131.37 10.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.7 m-90 -126.02 150.58 47.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' HG12 ' A' ' 15' ' ' ILE . 15.7 m80 -72.22 160.53 32.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -60.39 -15.56 27.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.2 p -109.42 -17.09 13.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.2 m -88.14 -44.7 10.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.42 102.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.428 ' HD3' ' C ' ' A' ' 40' ' ' LEU . 10.0 ptp85 -158.48 -179.98 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 t -71.57 170.33 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.64 -18.25 13.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -98.77 -46.4 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -100.41 -15.82 17.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.7 mm? 61.13 52.39 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 42' ' ' PRO . 7.6 t60 -117.41 142.04 29.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.711 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.502 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 53.0 Cg_endo -69.86 118.75 5.86 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.505 HD21 ' N ' ' A' ' 43' ' ' LEU . 2.9 mm? -98.28 23.36 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.99 -58.32 8.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -90.38 -11.65 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -102.65 169.22 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.3 m -93.14 146.37 23.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -131.16 -179.54 5.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.449 HG12 ' CE ' ' A' ' 51' ' ' LYS . 46.6 t -142.36 125.39 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.04 108.67 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' CE ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -141.09 132.48 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 62.3 39.13 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 53.07 36.3 21.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -141.22 134.13 29.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.0 mm -82.87 129.67 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -140.65 152.28 45.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.3 p -96.58 153.17 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -39.56 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -57.83 -36.26 72.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.7 m -87.42 -55.65 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.6 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.841 0.267 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' C ' HD13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -130.46 153.44 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 11.1 t -101.56 169.11 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.587 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 2.8 tmtt? -114.94 -33.84 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.01 -35.28 90.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.6 p -122.03 -18.26 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 69' ' ' CYS . 22.3 m-85 63.04 49.67 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -125.82 162.35 25.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.18 101.1 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.455 ' CG2' ' OD1' ' A' ' 82' ' ' ASN . 57.9 mt -64.93 143.86 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.87 153.45 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.87 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.94 -41.54 68.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.01 139.17 58.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -61.6 144.99 53.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.455 ' OD1' ' CG2' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -153.08 154.28 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 21.8 t -124.95 107.73 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.8 tt0 -96.87 127.48 42.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 86' ' ' LYS . 4.0 t80 -114.67 -78.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 85' ' ' TYR . 3.5 mtpm? -131.08 84.97 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.59 -35.91 2.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.528 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.2 p -107.56 129.15 55.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -112.47 122.47 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CZ3' ' HB3' ' A' ' 70' ' ' LYS . 3.1 m95 -103.53 140.7 37.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 92' ' ' LYS . 26.2 m80 -56.16 140.98 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 91' ' ' HIS . 1.9 tppp? -33.63 -38.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 91' ' ' HIS . 6.9 t0 -78.11 -48.8 15.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' HIS . 72.6 m -57.8 -43.97 86.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.474 ' CG ' HG12 ' A' ' 83' ' ' VAL . 15.3 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.3 t -87.21 144.75 26.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 m -95.01 -18.31 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -84.3 -56.35 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.2 p -92.61 2.9 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 46.46 25.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -105.46 154.04 39.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.544 0.688 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.18 47.41 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.417 HG12 ' NE2' ' A' ' 30' ' ' HIS . 28.3 mt -109.22 145.97 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.59 -173.06 38.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.62 -41.38 10.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 0.0 111.078 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.91 -32.16 73.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 p -72.18 141.01 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -78.32 101.64 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -98.6 156.66 16.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.57 103.68 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -89.83 117.96 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 27' ' ' ARG . 11.9 t80 -151.93 147.03 26.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 8.0 mmpt? 40.11 46.79 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 58.39 37.61 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.565 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 22.3 mmt180 -132.0 -178.69 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 15.5 m-85 -159.27 122.38 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.565 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.9 m-90 -124.28 141.83 51.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.417 ' NE2' HG12 ' A' ' 15' ' ' ILE . 13.9 m80 -64.74 163.35 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -15.62 33.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.1 t -110.4 -14.18 14.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.0 m -87.82 -46.89 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -59.92 109.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -166.82 172.67 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.8 t -66.94 164.73 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.19 -10.37 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -103.86 -44.5 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.8 p -104.64 -18.25 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 mt 66.32 49.98 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.425 ' ND1' ' HD2' ' A' ' 42' ' ' PRO . 79.6 t60 -112.9 136.12 21.66 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.3 Cg_endo -69.76 118.91 5.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -98.35 32.49 2.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -49.99 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -108.85 -2.77 18.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -101.63 168.83 9.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -91.44 149.11 21.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -137.15 178.8 6.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.63 135.4 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.47 110.15 22.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -141.07 149.49 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.81 46.2 3.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 47.11 42.71 13.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -145.34 139.05 26.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.4 mm -87.59 127.93 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.6 mt -142.6 153.86 43.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.6 p -96.99 171.03 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -59.69 -50.73 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -46.99 -43.12 19.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.0 m -75.63 -64.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.9 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.843 0.268 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -131.65 163.73 27.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.0 t -108.46 164.93 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 4.9 tptp -111.12 -24.66 10.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.42 ' N ' ' CE3' ' A' ' 90' ' ' TRP . . . -75.12 -41.72 31.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.85 -16.41 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' A' ' 70' ' ' LYS . 33.1 m-85 65.36 51.19 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -131.49 152.99 50.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.39 109.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 91.1 mt -70.65 132.63 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.1 t -82.37 144.36 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.81 -56.69 18.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.6 43.84 2.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.33 163.44 29.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -76.3 124.88 28.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.455 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -143.48 160.13 41.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' TRP . 21.7 t -127.8 108.05 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 4.6 tt0 -99.31 127.5 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.535 ' CE1' ' HG3' ' A' ' 86' ' ' LYS . 3.5 t80 -114.55 -77.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.535 ' HG3' ' CE1' ' A' ' 85' ' ' TYR . 51.3 mttm -132.24 87.79 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.13 -39.91 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 p -105.32 126.39 52.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.089 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -111.26 123.08 66.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.3 m95 -104.19 141.04 36.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -49.16 160.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -66.44 -6.64 15.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.71 -27.85 9.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.3 m -77.71 -39.28 45.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 t -104.03 146.61 28.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.417 ' HB ' ' NH2' ' A' ' 27' ' ' ARG . 12.1 m -95.52 -7.5 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -91.42 -56.0 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ARG . 13.7 p -103.22 15.84 28.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER 36.85 39.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -116.52 158.1 44.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.42 47.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 16' ' ' GLY . 88.4 mt -105.91 139.8 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.457 ' N ' HG23 ' A' ' 15' ' ' ILE . . . -96.61 165.4 23.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.92 54.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.45 -33.57 75.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.7 m -67.14 123.04 19.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -61.11 104.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -109.09 161.62 15.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.1 t -124.46 104.86 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CD2' ' CE2' ' A' ' 28' ' ' PHE . 6.2 t-160 -89.12 110.86 21.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -151.73 146.1 25.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 6.5 mtmp? 49.18 53.77 12.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER 48.76 26.89 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.566 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 5.7 mmm180 -130.59 177.15 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.434 ' CE2' ' CD2' ' A' ' 23' ' ' HIS . 13.2 m-85 -150.57 131.11 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.9 m-90 -125.14 145.47 49.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -66.89 169.61 7.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -4.85 20.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 t -123.62 -10.44 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 65.1 m -94.12 -29.14 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -79.49 107.65 12.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.475 ' HD3' ' CD1' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -156.78 -177.0 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 40.1 t -79.9 129.5 34.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.86 13.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CE ' ' HB3' ' A' ' 60' ' ' CYS . 16.0 mtpp -121.09 -44.27 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.31 -2.29 13.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 40' ' ' LEU . 3.6 mm? 56.75 53.49 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -121.13 135.23 24.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.873 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 122.63 9.3 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -97.85 19.8 13.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.55 -39.23 64.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -115.75 -3.39 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -115.51 149.44 38.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.1 p -46.03 156.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -148.58 147.71 29.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.8 t -130.93 150.04 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.53 120.15 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.44 138.06 41.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 49.03 37.86 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m120 63.32 34.68 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -134.87 133.61 39.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.3 mm -82.21 134.95 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.6 mt -147.84 173.09 13.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.441 ' O ' ' CG2' ' A' ' 61' ' ' THR . 1.9 p -110.17 167.35 10.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -64.71 -45.02 88.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -24.29 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.436 ' HB3' ' CE ' ' A' ' 38' ' ' LYS . 18.9 m -95.45 -48.69 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 57' ' ' CYS . 34.7 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.847 0.27 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -120.97 154.24 36.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.7 t -97.08 165.69 11.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 1.5 tmtm? -114.22 -22.54 9.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.58 -39.97 48.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.2 p -124.49 -13.91 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 63.69 54.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -131.24 152.19 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.13 116.33 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CD1' HG21 ' A' ' 89' ' ' VAL . 30.2 mt -81.93 138.58 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.52 143.27 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' GLY . . . -52.0 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' ALA . . . -37.57 -38.62 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.02 143.61 57.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.301 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.42 ' CD ' ' HG2' ' A' ' 92' ' ' LYS . 6.7 pt20 -77.86 131.01 37.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -139.78 166.36 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 24.8 t -123.29 108.54 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 20.3 tt0 -90.23 122.73 33.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -146.41 126.86 14.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt 52.69 42.22 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.24 -46.63 3.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.8 p -80.16 128.24 33.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -109.41 123.73 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.582 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 11.7 m95 -104.8 134.4 47.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 93' ' ' ASP . 25.3 m80 -46.42 134.52 9.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.42 ' HG2' ' CD ' ' A' ' 81' ' ' GLN . 46.2 tptt -42.92 -22.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 91' ' ' HIS . 14.1 t70 -92.86 -39.05 11.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 m -62.69 -39.07 92.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.6 t -99.51 144.67 28.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -93.62 -9.8 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.73 -54.32 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' LYS . 21.1 p -101.41 17.49 22.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 31.71 36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 11' ' ' CYS . 19.4 mttt -114.65 159.22 37.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.75 46.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.59 144.45 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.79 160.36 20.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.59 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 0.3 OUTLIER -69.73 -29.96 67.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 p -70.8 133.16 46.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.464 ' N ' ' HE2' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -64.19 104.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -105.37 148.76 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -117.19 106.06 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.35 114.7 27.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -150.81 121.99 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER 65.19 45.67 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.3 m120 59.39 28.06 17.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.525 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 38.6 mmt180 -122.34 -179.11 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 20.2 m-85 -159.88 124.43 3.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.3 m-90 -125.03 144.73 50.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -69.02 156.3 38.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -13.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 p -110.32 -18.91 13.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.6 m -86.51 -45.42 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -59.05 100.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -158.21 173.79 16.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 t -67.29 166.5 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.62 -7.39 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -106.07 -48.1 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.9 p -103.35 -12.46 17.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.3 mt 61.12 54.11 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -117.17 135.12 23.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 110.818 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 123.0 9.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.285 . . . . 0.0 112.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.06 31.42 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.2 -42.63 86.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.65 -2.21 13.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -104.41 174.03 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.9 m -86.99 150.77 23.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -141.09 174.78 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.0 t -146.5 136.15 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.86 20.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -141.05 150.04 42.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 t70 49.23 37.03 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.9 t30 52.88 36.08 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -141.43 132.84 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -76.78 126.31 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.0 mt -138.46 155.54 48.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.9 p -99.05 174.23 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -64.98 -42.47 94.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -53.76 -42.87 68.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.6 m -76.43 -59.27 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.847 0.27 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -137.88 159.61 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.1 t -101.23 164.83 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 1.8 tmtt? -116.26 -27.7 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.35 95.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.2 p -124.61 -21.59 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.5 t80 73.59 52.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -128.09 151.73 48.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.61 123.02 13.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.1 mt -86.51 136.96 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.27 145.5 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.27 -58.57 7.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.64 -41.49 42.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.84 113.92 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.735 0.302 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -51.5 131.48 29.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.482 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.4 OUTLIER -130.61 169.0 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.55 HG13 ' CD2' ' A' ' 95' ' ' PHE . 17.7 t -125.76 108.42 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 9.1 tt0 -94.92 124.05 38.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.576 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 86.8 t80 -143.87 106.8 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.576 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 2.8 mtpm? 65.79 54.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.31 -49.48 3.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -78.96 125.82 29.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 111.085 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -113.76 120.94 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 7.7 m95 -101.22 143.85 30.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -52.14 143.32 14.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -44.56 -28.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -88.32 -47.99 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 44.2 m -55.58 -42.57 74.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.55 ' CD2' HG13 ' A' ' 83' ' ' VAL . 8.1 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.1 t -97.87 144.07 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -96.05 -14.72 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.65 -56.52 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -91.02 -8.14 49.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 58.66 27.87 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -110.37 156.52 40.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.98 52.56 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.421 HG12 ' NE2' ' A' ' 30' ' ' HIS . 70.3 mt -111.09 146.41 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.03 157.05 19.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.472 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.9 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -56.68 -30.58 63.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -81.78 129.97 34.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -65.33 104.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.34 171.22 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.9 t -121.43 103.93 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -90.49 113.99 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -152.06 132.91 14.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.71 44.92 13.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 57.45 28.78 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 17.9 mtm180 -128.94 -179.2 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -155.59 131.72 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.493 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.0 m-90 -125.31 149.28 48.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.421 ' NE2' HG12 ' A' ' 15' ' ' ILE . 14.5 m80 -71.6 156.83 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -11.25 2.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.6 p -112.91 -16.65 12.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.0 m -89.65 -46.87 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CD2' HG21 ' A' ' 22' ' ' VAL . 27.4 t80 -55.89 103.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.475 ' NE ' HD11 ' A' ' 40' ' ' LEU . 17.4 ptt180 -160.13 168.11 26.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 t -61.79 168.96 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.25 -10.18 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -104.57 -46.37 4.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.35 -8.36 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 40' ' ' LEU . 4.3 mm? 58.25 43.87 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.552 ' CD2' ' HD2' ' A' ' 42' ' ' PRO . 3.5 t60 -105.8 130.44 23.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.857 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD2' ' CD2' ' A' ' 41' ' ' HIS . 53.7 Cg_endo -69.71 122.66 9.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -95.01 15.75 18.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.4 -37.49 62.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -115.83 -6.1 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 47' ' ' THR . 4.2 tt0 -116.21 152.45 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.451 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 23.9 p -57.73 148.62 24.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 8.6 p90 -131.27 158.8 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.9 t -131.78 152.01 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.02 108.62 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -141.21 144.51 34.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 55.65 43.86 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 47.96 35.67 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -146.95 147.28 30.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.4 128.27 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.9 mt -141.21 151.96 44.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.0 p -98.69 155.75 17.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 1.1 p30 -45.76 -55.35 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -41.67 -36.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' THR . 68.5 m -84.43 -70.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' CYS . 17.4 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.807 0.253 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -131.1 151.37 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.2 t -97.9 165.76 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.593 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.3 tmtt? -115.3 -22.67 9.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.08 -37.06 56.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.1 p -125.66 -12.71 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 62.98 53.76 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -135.42 151.29 50.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.64 126.72 28.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.422 HG12 ' NE2' ' A' ' 91' ' ' HIS . 45.9 mt -89.27 137.74 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 78' ' ' ALA . 47.9 t -86.17 144.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' N ' HG11 ' A' ' 77' ' ' VAL . . . -55.54 -59.88 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.62 50.0 3.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 81' ' ' GLN . 6.7 m-20 -141.38 112.06 7.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 80' ' ' ASP . 3.2 mp0 -36.28 120.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 80' ' ' ASP . 0.4 OUTLIER -136.74 159.82 40.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 19.5 t -121.63 107.87 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 3.3 tt0 -95.34 122.22 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.531 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 87.7 t80 -142.1 130.02 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.531 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 15.2 mtpp 48.89 41.85 19.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.94 -49.29 3.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.8 p -77.83 127.44 32.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.37 124.65 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.593 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.3 m95 -105.01 141.68 36.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 93' ' ' ASP . 23.9 m80 -50.94 135.73 24.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 91' ' ' HIS . 8.3 tptp -36.03 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 91' ' ' HIS . 13.5 m-20 -87.33 -44.86 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' HIS . 18.7 m -56.58 -45.2 81.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.0 t80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 p -87.34 -21.8 25.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.894 0.378 . . . . 0.0 110.894 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 m -133.07 -47.61 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.76 86.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -138.6 111.51 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.841 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -48.37 125.04 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.86 173.89 16.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.8 t -93.1 145.98 24.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.5 m -96.71 -14.02 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.25 -56.14 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.2 p -94.46 -1.93 52.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 52.64 29.96 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -111.22 156.5 40.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 141.3 44.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 16' ' ' GLY . 72.4 mt -104.68 138.91 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.463 ' N ' HG21 ' A' ' 15' ' ' ILE . . . -82.77 173.15 52.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -44.02 21.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 111.077 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.72 -36.45 75.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 p -59.6 120.17 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -68.55 105.29 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -106.25 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.6 t -123.52 106.21 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -90.51 117.94 29.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 18.6 t80 -152.6 136.91 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 10.3 mmpt? 51.77 46.81 25.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 57.95 33.45 23.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.574 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.6 mtt85 -129.96 -178.49 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 22.5 m-85 -158.92 127.54 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.1 m-90 -125.37 139.55 53.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -65.27 151.05 47.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -50.66 -18.05 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.3 t -105.48 -16.48 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.5 m -88.83 -46.66 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 34.1 t80 -59.61 104.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 18.4 ptt180 -163.73 168.57 19.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.15 167.32 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.68 -9.97 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -104.48 -48.37 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.0 p -103.98 -9.24 19.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 2.0 mm? 57.59 48.71 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -107.18 132.06 21.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 116.28 4.49 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 1.7 mm? -86.94 25.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.0 79.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -115.66 -6.96 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.22 148.08 44.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.446 ' OG1' ' ND2' ' A' ' 58' ' ' ASN . 22.3 p -51.45 166.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -145.55 164.01 32.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.409 ' CG1' ' HE3' ' A' ' 51' ' ' LYS . 38.8 t -141.39 131.84 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.41 113.51 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HE3' ' CG1' ' A' ' 49' ' ' VAL . 2.0 mptm? -135.82 137.63 41.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 55.61 43.14 28.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 55.3 39.6 31.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -141.75 134.46 28.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.0 mm -87.06 131.67 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -147.72 159.67 43.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.7 p -98.78 164.91 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.446 ' ND2' ' OG1' ' A' ' 47' ' ' THR . 1.7 p30 -62.09 -33.81 75.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -62.0 -31.06 71.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.1 m -91.56 -45.14 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 73.7 p -38.75 -44.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 t -48.11 175.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 56.43 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 64' ' ' GLU . 1.2 pp20? -120.21 35.28 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -118.61 81.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.6 m -44.25 161.62 0.21 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.655 0.74 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 147.07 62.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -129.33 143.94 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.3 t -78.16 167.21 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.0 tmtm? -114.93 -23.13 9.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.03 -33.7 28.81 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.54 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.5 p -123.79 -17.14 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 62.11 48.91 4.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -118.79 147.73 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.61 113.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.456 ' CD1' HG23 ' A' ' 89' ' ' VAL . 90.7 mt -81.95 152.83 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.96 145.2 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.87 -58.48 7.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.41 -40.68 92.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.61 154.13 7.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.832 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -80.89 124.51 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.53 159.93 41.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.565 HG12 ' CD1' ' A' ' 95' ' ' PHE . 29.7 t -122.16 108.39 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -92.16 133.36 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 24.4 t80 -126.34 -77.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.553 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 21.1 mtpp -123.65 87.73 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.98 -46.39 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.413 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 m -100.73 148.99 24.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.456 HG23 ' CD1' ' A' ' 76' ' ' ILE . 0.8 OUTLIER -122.18 128.32 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.8 m95 -100.78 135.62 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -46.78 144.85 2.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -38.43 -36.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.44 -56.17 4.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 72.6 m -48.34 -34.5 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.565 ' CD1' HG12 ' A' ' 83' ' ' VAL . 15.4 t80 -82.76 121.48 26.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -108.43 78.84 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -68.29 150.94 51.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.55 3.42 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.0 p -47.11 -24.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.1 m -165.99 163.01 18.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.48 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m 60.44 44.26 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -59.9 -43.21 94.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.58 -34.99 62.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m 58.37 45.58 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.91 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m -137.85 175.32 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.04 166.01 38.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.0 t -88.62 149.73 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 m -96.73 -23.0 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 2.7 tm-20 -79.57 -55.96 4.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' ARG . 23.7 p -95.34 9.13 41.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' CYS . 5.0 mtm105 37.6 32.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' CYS . 16.4 mttm -111.87 158.9 35.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 138.41 37.63 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.34 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 30' ' ' HIS . 61.5 mt -103.28 149.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -109.39 151.2 17.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.49 95.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -56.45 -34.09 66.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -81.59 121.13 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 104.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -99.01 174.51 6.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.9 t -130.47 106.54 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -94.22 121.79 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 19.2 t80 -152.6 134.41 14.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 40.7 mmtt 51.66 46.31 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 60.29 37.98 20.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.563 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.8 mmm180 -131.08 -178.31 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.4 m-85 -161.2 122.2 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.6 m-90 -125.26 139.02 54.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 15' ' ' ILE . 15.6 m80 -65.31 158.97 24.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -19.55 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -105.83 -13.3 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.9 m -90.31 -45.8 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -62.02 104.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -159.91 172.93 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.9 t -67.64 167.58 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.18 -18.35 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.052 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -97.09 -44.56 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.1 p -103.0 -21.07 13.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mt 67.11 54.97 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.4 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 12.9 t60 -118.36 138.34 25.59 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.521 0.677 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.9 Cg_endo -69.73 109.87 2.41 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -84.61 27.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.42 -61.88 2.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -82.64 -20.17 36.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -101.18 174.77 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -87.81 163.89 16.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -136.4 165.82 24.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.5 t -136.73 122.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.23 111.56 23.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -140.17 141.95 35.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 51.46 39.53 24.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 53.81 41.99 31.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -146.34 130.31 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -78.01 129.01 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt -146.41 157.65 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.5 p -99.91 161.39 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -50.24 -41.84 50.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -53.54 -53.57 49.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.4 m -66.55 -57.45 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.6 p -40.4 -50.21 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ARG . 86.3 m -47.32 110.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' THR . 8.4 ptp85 -35.6 128.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -164.08 165.95 21.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' SER . 38.9 m-20 60.85 40.59 15.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' ASP . 8.6 m -33.95 145.82 0.14 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.74 . . . . 0.0 110.859 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -179.42 2.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.398 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' C ' HD12 ' A' ' 76' ' ' ILE . 21.8 pttp -141.57 157.35 45.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.6 t -95.76 162.6 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 21.9 tptt -115.21 -27.99 7.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.24 -36.63 93.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.539 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.7 p -124.7 -21.83 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.0 t80 73.74 51.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -123.69 142.84 50.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.51 119.06 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.07 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 77' ' ' VAL . 94.3 mt -83.19 151.22 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.46 ' N ' HG23 ' A' ' 76' ' ' ILE . 40.3 t -106.03 142.0 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.443 ' N ' HG13 ' A' ' 77' ' ' VAL . . . -48.51 -55.05 12.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.01 -36.44 90.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.33 139.87 51.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -77.75 114.16 16.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.42 ' CG ' HG22 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -110.33 156.99 19.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.9 t -121.23 112.2 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -95.69 111.02 23.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 86' ' ' LYS . 21.6 t80 -98.13 -72.02 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 85' ' ' TYR . 20.8 mttm -126.58 64.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.94 -32.22 3.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.68 126.36 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 111.171 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.09 140.45 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.582 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 11.2 m95 -127.74 138.85 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 93' ' ' ASP . 24.3 m170 -53.5 127.19 24.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' HIS . 37.0 tptt -36.54 -29.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 91' ' ' HIS . 43.8 m-20 -81.62 -53.99 5.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.5 m -53.34 -32.01 47.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -98.37 113.54 25.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.4 t -123.23 -60.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 130.19 -97.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 178.45 4.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 0.0 112.338 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 100' ' ' SER . 33.0 t -112.26 -48.75 3.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 99' ' ' SER . 1.5 t -35.64 145.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.826 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.485 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -111.02 122.3 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.81 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -104.67 -47.89 3.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.6 113.81 4.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -68.99 -49.43 57.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -70.72 104.27 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.0 -167.48 12.89 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 t -112.72 145.53 40.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.392 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.41 ' CG2' ' NE1' ' A' ' 29' ' ' TRP . 5.9 m -95.24 -7.45 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -56.16 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 p -104.16 11.98 34.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 46.32 28.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -109.62 154.59 42.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.555 0.693 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 142.55 48.29 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.344 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.412 HG12 ' NE2' ' A' ' 30' ' ' HIS . 56.6 mt -105.69 145.32 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.19 171.8 31.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.434 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.52 -49.23 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.74 -33.3 66.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.3 p -74.26 121.8 21.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -66.15 104.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -95.93 168.95 10.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.81 104.36 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -92.42 115.9 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -152.43 128.13 10.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 60.89 44.54 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.1 m120 59.5 34.0 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 2.6 mmp_? -128.61 -178.72 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 26.5 m-85 -160.5 121.87 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.546 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.5 m-90 -120.75 144.43 48.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.412 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.2 m80 -64.24 160.86 17.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -7.58 4.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -119.56 -15.82 8.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -86.5 -37.96 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -67.02 105.26 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -159.39 173.89 15.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.8 t -68.0 169.94 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.46 -9.53 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -108.34 -49.91 3.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.6 p -104.52 1.24 29.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp 47.18 46.04 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.536 ' CD2' ' HD2' ' A' ' 42' ' ' PRO . 3.8 t60 -102.04 131.75 22.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.536 ' HD2' ' CD2' ' A' ' 41' ' ' HIS . 53.4 Cg_endo -69.74 121.86 8.55 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.3 15.82 28.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.13 -56.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -107.93 -0.67 21.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.34 167.6 10.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.0 p -79.76 141.3 36.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -132.29 170.16 15.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.6 t -141.54 129.09 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.41 109.23 22.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -138.96 154.11 48.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 45.2 39.4 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 52.45 43.23 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -147.58 150.89 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.3 mm -93.34 123.53 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -137.42 161.03 37.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.2 p -102.08 150.35 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -43.43 -50.31 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.0 -55.55 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.9 m -63.65 -57.88 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.8 p -39.45 -49.11 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.8 p -93.71 78.92 4.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.468 ' CD ' ' HB2' ' A' ' 65' ' ' ASP . 2.5 tmm_? -140.77 139.63 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.91 -36.91 3.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.468 ' HB2' ' CD ' ' A' ' 63' ' ' ARG . 34.4 t70 39.1 51.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 15.3 m -98.98 103.11 17.7 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.616 0.722 . . . . 0.0 110.846 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 66' ' ' SER . 53.3 Cg_endo -69.78 179.36 3.77 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' C ' HD13 ' A' ' 76' ' ' ILE . 15.9 ptmt -130.77 149.11 52.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 10.8 t -88.36 167.75 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 5.2 tmtt? -118.28 -26.27 6.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.3 -34.8 57.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.4 p -124.19 -21.18 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 71.78 51.41 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -126.92 158.11 37.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.87 118.38 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.477 HD11 ' CG2' ' A' ' 89' ' ' VAL . 48.5 mt -90.66 146.37 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.0 t -122.69 140.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.41 -65.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.13 -45.5 20.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -58.88 136.66 57.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.716 0.293 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -63.61 124.29 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.444 ' ND2' ' CG2' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -144.97 154.1 42.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 25.6 t -111.57 106.77 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 35.1 tt0 -88.76 125.98 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -147.87 113.81 5.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.1 mttm 57.58 54.31 6.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.96 -47.15 2.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.5 p -82.17 126.46 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.8 OUTLIER -113.65 129.89 68.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.1 m95 -111.82 129.05 56.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 92' ' ' LYS . 23.1 m80 -40.24 142.62 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 91' ' ' HIS . 38.2 tptt -36.69 -36.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.55 -58.99 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 61.7 m -40.79 -46.36 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -59.46 158.94 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.1 m -101.32 85.59 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -135.22 74.96 0.42 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.18 18.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 t -136.88 106.41 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 t -160.25 174.48 14.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.498 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 p -112.55 97.88 6.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.366 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -118.89 149.85 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.806 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.48 51.04 3.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 m -71.52 178.33 3.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -142.67 141.36 31.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' C ' HD13 ' A' ' 15' ' ' ILE . . . -113.23 -177.15 19.53 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 13.3 t -89.08 152.46 21.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -97.0 -8.54 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -93.77 -57.96 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 13' ' ' LYS . 13.9 p -104.69 21.09 17.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' CYS . 21.4 mmt85 30.99 37.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' CYS . 21.3 mttp -105.32 158.36 32.35 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.543 0.687 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 135.72 31.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.425 HD13 ' C ' ' A' ' 7' ' ' GLY . 71.5 mt -102.89 134.81 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.69 139.54 14.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.29 64.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -58.19 -34.22 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -74.58 127.06 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.94 104.92 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -101.04 152.48 20.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -114.42 103.45 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -90.4 116.63 28.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 17.3 t80 -152.47 137.26 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 55.7 mmtt 55.32 45.4 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 57.98 27.22 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.589 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.4 mmt180 -128.55 -179.68 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 7.3 m-85 -154.47 128.56 8.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.589 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.3 m-90 -122.42 139.1 54.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 38.6 m80 -62.56 157.33 20.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -13.58 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.6 t -110.41 -19.75 12.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.4 m -85.03 -44.54 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -59.39 99.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -156.87 171.84 19.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.3 t -65.7 164.43 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.5 -8.9 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -106.94 -45.56 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.1 p -104.7 -8.86 18.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.5 mm? 54.92 52.59 11.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.445 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 68.8 t60 -114.98 139.32 24.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.75 126.2 13.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 43' ' ' LEU . 2.4 mm? -101.54 15.35 29.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.0 -37.21 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -115.99 -5.45 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -116.74 146.18 42.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.2 p -55.28 160.46 2.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' C ' HG22 ' A' ' 49' ' ' VAL . 39.5 p90 -138.21 168.91 18.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.411 HG22 ' C ' ' A' ' 48' ' ' PHE . 61.2 t -141.0 133.85 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.79 114.3 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -140.61 132.77 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 55.82 42.08 29.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 53.93 39.72 30.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -142.57 130.83 22.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.7 125.26 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.9 mt -138.26 152.61 48.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 p -102.3 165.5 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -53.68 -53.02 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -41.52 -44.21 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.7 m -75.85 -64.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.8 p -37.99 -43.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.7 p -81.96 160.14 23.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 59.43 39.67 21.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -132.64 84.91 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.68 76.57 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 m -63.28 154.49 78.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 149.95 67.3 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.33 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 165.78 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.4 t -109.33 161.97 14.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.7 tptm -113.27 -25.15 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.87 -30.17 59.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.8 p -125.89 -16.39 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 61.78 49.38 4.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -126.66 150.71 48.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.93 116.42 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.427 HG12 ' NE2' ' A' ' 91' ' ' HIS . 38.4 mt -76.94 138.99 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.6 t -73.53 143.74 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.37 -51.88 24.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.09 55.99 3.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.18 139.78 52.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -73.54 93.33 2.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.462 ' HB3' ' CG1' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -98.69 153.63 18.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 t -116.17 110.17 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -84.68 130.65 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -151.27 105.56 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.22 25.34 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.28 -36.56 3.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.3 p -83.32 126.15 32.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 111.178 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 82' ' ' ASN . 2.9 t -93.74 141.36 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 5.2 m95 -131.7 134.48 45.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' ASP . 26.8 m80 -53.69 130.32 36.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' HIS . 0.7 OUTLIER -34.45 -31.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 91' ' ' HIS . 26.9 t0 -82.87 -53.84 5.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.2 m -52.06 -43.12 63.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -54.78 150.33 9.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 m -97.73 55.8 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.88 110.23 3.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' SER . 53.5 Cg_endo -69.77 -50.52 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' PRO . 95.2 p 37.73 39.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 m -52.08 120.29 5.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.475 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -81.77 107.21 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -105.17 81.32 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.71 120.79 4.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -100.28 -62.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 m -55.14 102.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.68 -179.27 15.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.536 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 17.3 t -95.25 147.93 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 m -97.27 -9.4 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.13 -56.58 3.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 p -105.34 14.46 28.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 39.94 37.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -110.26 156.65 39.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 142.78 48.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG21 ' N ' ' A' ' 16' ' ' GLY . 94.4 mt -111.67 144.12 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.47 ' N ' HG21 ' A' ' 15' ' ' ILE . . . -95.26 -178.59 37.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.29 -43.66 12.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -68.66 -30.01 68.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -68.08 133.17 48.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -66.09 103.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.66 157.3 17.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.402 HG22 ' CD2' ' A' ' 34' ' ' PHE . 53.9 t -122.22 104.22 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.44 113.63 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -151.3 137.51 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt 54.96 43.09 30.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 59.21 26.97 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.57 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.0 mtt180 -128.49 177.03 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 16.2 m-85 -149.61 130.43 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.8 m-90 -124.68 140.55 52.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 42.1 m80 -65.7 150.63 48.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -49.85 -20.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 p -102.36 -19.37 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.4 m -87.23 -48.09 8.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CD2' HG22 ' A' ' 22' ' ' VAL . 39.6 t80 -55.7 98.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -159.63 166.35 30.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.6 t -59.05 172.6 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.63 -19.93 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -92.36 -53.03 4.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.9 p -99.2 -18.27 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt 67.94 52.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -113.13 132.05 22.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 0.0 110.885 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 116.62 4.65 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.19 27.12 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.89 -60.28 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -92.91 -13.92 28.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -93.82 177.4 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.6 m -102.78 154.39 19.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -137.26 178.43 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.8 t -138.43 123.29 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.35 108.82 17.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -139.87 148.22 41.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 47.65 41.25 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 m120 51.77 38.48 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -147.24 147.5 30.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.9 127.55 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -136.46 150.58 48.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.4 p -91.77 161.5 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -55.27 -43.99 75.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -33.63 66.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 62' ' ' THR . 36.2 m -80.36 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.5 p -38.08 -31.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' CYS . 63.3 m -59.84 138.5 57.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -39.4 115.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -133.03 161.45 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -85.81 39.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -64.72 158.88 66.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.689 0.757 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 160.99 47.64 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.11 158.93 36.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.1 t -101.77 165.2 11.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HG2' ' CH2' ' A' ' 90' ' ' TRP . 26.2 tptt -113.91 -23.02 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.18 -40.56 28.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.537 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.8 p -121.98 -13.77 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 62.3 52.34 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -123.23 153.06 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.72 106.03 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.0 mt -68.6 142.37 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 63.8 t -102.66 152.41 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.58 -66.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.58 -41.99 34.74 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -56.21 157.22 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.803 0.335 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -90.0 128.77 36.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.557 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 1.2 p30 -131.2 176.17 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.572 HG13 ' CD2' ' A' ' 95' ' ' PHE . 19.9 t -139.82 112.25 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 4.8 tt0 -102.45 134.92 44.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -123.61 -80.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -120.15 91.32 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.24 -47.74 1.7 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.4 m -96.8 155.93 16.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.557 ' CG2' ' HB2' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -133.58 126.17 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.498 ' CH2' ' HG2' ' A' ' 70' ' ' LYS . 2.5 m95 -100.39 145.95 27.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -53.95 149.23 9.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -46.83 -30.25 2.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -85.81 -50.45 7.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 87.8 m -51.47 -44.11 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.572 ' CD2' HG13 ' A' ' 83' ' ' VAL . 1.8 t80 -75.83 78.86 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -51.91 -59.64 4.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.82 -113.01 5.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -35.45 12.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.5 p -71.36 175.07 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.83 160.1 40.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.496 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 p -41.73 -45.64 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 m -115.84 169.79 8.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.5 58.62 0.4 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -100.67 44.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -158.39 175.64 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.76 154.29 10.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -94.11 143.25 26.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.942 0.401 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 m -95.13 -5.72 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.32 -55.65 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 p -98.18 1.64 47.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? 51.72 26.4 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -108.11 157.55 35.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.43 48.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 30' ' ' HIS . 61.4 mt -108.53 147.37 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.61 142.96 16.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.3 -48.92 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.094 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.04 -33.69 75.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 m -64.72 131.4 46.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -63.9 103.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -111.05 157.87 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 t -117.33 104.12 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -91.11 117.69 29.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -152.19 121.26 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.95 49.46 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 56.65 31.22 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.639 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 32.9 mtt85 -126.64 -178.78 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.1 m-85 -161.43 126.91 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.549 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.8 m-90 -125.52 140.18 52.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 15' ' ' ILE . 14.1 m80 -64.25 156.35 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -55.99 -13.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -111.78 -17.62 12.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.6 m -86.41 -40.22 15.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -65.75 105.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 40' ' ' LEU . 5.2 ptp85 -163.12 171.23 16.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.33 167.08 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.26 -15.14 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -100.75 -48.4 4.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.11 -9.17 21.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER 53.32 54.4 10.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 11.2 t60 -114.74 142.07 27.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.75 113.14 3.27 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -90.24 20.68 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.29 -62.07 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -81.83 -19.03 41.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -102.41 176.68 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.7 m -82.36 155.57 24.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -130.54 158.99 38.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.436 ' CG1' ' HD3' ' A' ' 51' ' ' LYS . 77.7 t -134.43 140.92 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.56 111.82 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 6.1 mptt -141.02 135.22 30.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.63 34.43 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.1 m120 60.24 41.1 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -146.01 133.33 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.9 mm -82.96 133.27 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.0 mt -146.39 167.5 23.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.6 p -110.65 158.3 18.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -52.51 -45.62 66.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -50.03 -36.88 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.5 m -86.37 -63.17 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.3 p -40.08 -43.48 1.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.8 t -54.3 154.98 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -59.19 118.56 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -154.72 156.93 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' SER . 5.3 t70 73.77 44.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' ASP . 21.2 p -37.48 139.91 0.52 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.7 0.762 . . . . 0.0 110.855 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.0 15.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.41 157.62 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.4 t -97.05 164.45 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.9 tptm -111.28 -21.45 11.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.49 -34.82 34.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 7.8 p -122.07 -24.97 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 t80 74.22 49.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -121.85 164.3 17.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.89 105.19 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 77' ' ' VAL . 61.6 mt -70.78 137.51 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.443 ' N ' HG23 ' A' ' 76' ' ' ILE . 91.6 t -109.25 152.52 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.56 -60.41 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.99 -37.71 86.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.1 111.7 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.743 0.306 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.476 ' HB3' ' CG ' ' A' ' 92' ' ' LYS . 12.1 mm-40 -39.79 147.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.403 HD21 ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -154.23 156.97 38.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.502 HG13 ' CD2' ' A' ' 95' ' ' PHE . 22.0 t -127.41 108.15 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 3.4 tt0 -98.12 128.13 44.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 86' ' ' LYS . 3.1 t80 -114.24 -77.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 85' ' ' TYR . 34.6 mttm -134.59 84.74 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.1 -39.79 2.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.3 p -105.48 126.79 52.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 111.115 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -110.2 123.23 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.8 m95 -104.89 140.36 38.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.419 ' NE2' HG12 ' A' ' 76' ' ' ILE . 27.6 m80 -49.73 158.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 81' ' ' GLN . 8.1 mmmt -59.95 -24.7 64.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.74 -35.2 16.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.9 m -72.42 -30.45 64.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.502 ' CD2' HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -98.56 84.87 3.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.6 t -122.94 44.5 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 54.67 -173.21 0.83 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 140.8 43.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.394 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.9 p -171.77 144.91 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.2 t -93.27 164.46 13.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.514 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -78.39 92.31 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 t -96.21 99.41 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.57 157.74 22.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 p -101.45 166.0 10.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -130.18 46.43 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.52 -173.63 49.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 33.1 t -88.7 147.4 24.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.28 -22.81 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -73.13 -55.2 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.4 p -97.9 -2.57 40.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 53.85 31.08 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -107.85 156.87 37.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.572 0.701 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.46 45.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG12 ' NE2' ' A' ' 30' ' ' HIS . 85.6 mt -108.79 142.02 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.81 164.48 18.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -48.65 68.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -58.56 -36.43 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -69.26 129.86 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -68.02 105.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -103.9 152.83 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.69 103.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -88.85 117.24 27.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -152.98 126.0 8.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? 62.77 43.55 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 59.88 31.82 20.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 29' ' ' TRP . 43.9 mtt85 -130.24 -178.22 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -156.49 128.48 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 27' ' ' ARG . 31.2 m-90 -126.52 140.74 52.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.8 m170 -65.66 157.07 30.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -22.64 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.0 p -101.91 -15.87 16.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.66 -48.83 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -58.48 97.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' HB2' ' C ' ' A' ' 41' ' ' HIS . 10.8 ptp85 -154.14 176.18 12.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 t -70.8 168.51 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.91 -13.81 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -99.98 -49.41 4.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.3 p -100.8 -11.99 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 60.6 49.41 6.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.417 ' C ' ' HB2' ' A' ' 35' ' ' ARG . 6.1 t60 -110.6 132.93 21.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.732 . . . . 0.0 110.828 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 111.87 2.91 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.691 2.261 . . . . 0.0 112.404 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.52 25.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.09 80.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -111.08 3.6 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -114.64 170.86 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 p -75.91 158.09 32.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -148.43 162.12 40.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.448 HG11 ' N ' ' A' ' 50' ' ' ALA . 98.7 t -139.97 137.25 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' N ' HG11 ' A' ' 49' ' ' VAL . . . -106.33 108.62 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -141.46 137.44 32.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 61.81 41.97 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 49.03 36.64 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -142.47 139.96 31.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -83.7 133.24 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.6 mt -144.2 164.57 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.2 p -106.91 170.17 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -63.68 -44.71 92.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -51.05 -37.53 46.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' THR . 60.7 m -84.08 -62.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' CYS . 70.5 p -37.76 -48.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.1 t -45.4 137.85 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -41.73 126.35 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -119.63 -48.15 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' SER . 6.5 p-10 -57.83 87.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' ASP . 4.1 m -37.5 157.27 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.7 0.762 . . . . 0.0 110.842 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -175.87 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.74 154.97 35.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 91' ' ' HIS . 47.5 t -92.8 163.22 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.63 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 0.5 OUTLIER -111.44 -30.35 7.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.91 -48.4 81.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.28 -13.95 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.487 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 40.3 m-85 63.73 50.8 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -123.65 143.31 50.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.8 123.76 14.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.434 HG22 ' CG ' ' A' ' 82' ' ' ASN . 94.7 mt -81.61 149.33 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 78' ' ' ALA . 58.7 t -103.63 144.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.437 ' N ' HG11 ' A' ' 77' ' ' VAL . . . -53.4 -56.2 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.45 92.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.53 141.62 58.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.431 ' C ' ' OD1' ' A' ' 82' ' ' ASN . 8.1 mm100 -71.01 138.75 50.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.434 ' CG ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -136.25 151.12 49.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 17.1 t -122.07 108.59 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.489 ' HB2' ' CG1' ' A' ' 89' ' ' VAL . 25.6 tt0 -86.86 118.72 26.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.89 62.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt 66.42 37.08 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.63 -77.18 0.23 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -80.18 148.76 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.489 ' CG1' ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -113.41 113.44 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.63 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 15.0 m95 -93.79 134.9 35.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 93' ' ' ASP . 39.4 m80 -51.48 127.56 20.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' HIS . 39.6 tptt -34.74 -31.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 91' ' ' HIS . 17.1 m-20 -78.75 -59.93 2.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 66.3 m -48.78 -33.24 9.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -78.04 83.93 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.7 t -87.59 76.82 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.66 -117.96 4.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.12 5.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 94.4 p -140.83 160.5 39.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.4 m -118.71 -47.33 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.502 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -162.57 129.37 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -71.32 83.98 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 137.43 49.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 p -38.36 -47.25 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 110.89 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 p -126.37 120.81 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.2 173.47 16.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 14.6 t -89.32 151.76 21.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.472 HG13 ' CE2' ' A' ' 29' ' ' TRP . 1.0 OUTLIER -96.94 -13.64 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -93.93 -57.16 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' ARG . 26.2 p -97.08 14.86 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 31.5 42.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 22.3 mmtt -116.73 158.03 44.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.45 30.53 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.381 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 16' ' ' GLY . 52.6 mt -104.12 153.32 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 15' ' ' ILE . . . -108.93 146.46 16.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.49 -49.34 67.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -55.97 -33.4 64.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -73.3 143.25 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -73.67 104.54 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.95 147.87 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.6 104.02 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 23' ' ' HIS . 6.6 t-160 -88.75 114.42 25.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -152.79 140.82 20.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 53.42 42.47 31.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' O ' ' CZ ' ' A' ' 27' ' ' ARG . 2.2 m120 59.65 27.4 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.584 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.5 mmp_? -128.59 -178.92 4.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.5 m-85 -154.01 124.31 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.9 m-90 -119.37 139.62 51.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' NE2' HG12 ' A' ' 15' ' ' ILE . 9.7 m80 -60.81 161.77 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -60.78 -12.71 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.1 p -113.95 -16.8 12.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.2 m -85.66 -38.41 18.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.26 100.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -157.99 174.59 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.83 169.21 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.72 -14.22 13.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -98.13 -50.99 4.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.0 -15.58 17.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mt 65.26 54.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 42' ' ' PRO . 17.3 t60 -119.22 134.3 23.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.823 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 53.3 Cg_endo -69.75 127.7 14.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.287 . . . . 0.0 112.306 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.464 HD21 ' N ' ' A' ' 43' ' ' LEU . 1.5 mm? -99.37 18.49 17.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.15 -62.25 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.19 -15.11 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -98.48 -179.1 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.7 m -92.72 151.2 20.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -134.47 161.98 33.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.4 t -133.76 134.01 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.63 111.22 23.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -139.23 148.28 42.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 44.51 42.03 5.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t30 52.18 42.24 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -144.58 145.0 31.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -92.17 126.79 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -141.5 160.2 40.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.3 p -104.29 156.45 17.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -47.69 -56.48 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -40.86 -41.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 62' ' ' THR . 68.4 m -78.66 -62.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.6 p -42.36 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' CYS . 63.8 m -87.23 114.63 24.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -151.65 166.25 31.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.49 154.98 41.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.23 68.77 2.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -85.21 159.64 56.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.705 0.764 . . . . 0.0 110.813 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 152.63 69.15 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.363 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' C ' HD11 ' A' ' 76' ' ' ILE . 6.1 mtmp? -138.21 130.26 28.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.437 ' N ' HD11 ' A' ' 76' ' ' ILE . 36.7 t -64.32 164.0 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.599 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 6.0 tmtm? -111.26 -28.31 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.5 -42.78 47.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -110.57 -23.95 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 71.83 43.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -116.28 152.56 33.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.82 117.07 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.437 HD11 ' N ' ' A' ' 69' ' ' CYS . 81.1 mt -84.0 156.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.1 t -124.57 144.89 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.98 66.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.7 -40.62 99.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.56 172.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.41 93.0 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.483 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -104.68 160.49 14.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 25.0 t -119.14 106.41 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 58.3 tt0 -88.92 134.05 34.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -128.11 -74.87 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -125.62 87.22 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.01 -46.54 2.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -101.78 151.74 21.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.483 ' CG2' ' HB2' ' A' ' 82' ' ' ASN . 0.8 OUTLIER -122.03 126.3 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.599 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.7 m95 -100.91 132.06 46.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 90' ' ' TRP . 22.2 m170 -39.99 161.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -72.26 3.4 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -119.27 -33.29 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.46 -42.39 74.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -62.57 112.34 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.8 m -126.41 83.4 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.9 -152.85 9.1 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.46 68.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.271 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 m -98.38 158.29 15.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -114.86 174.49 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.491 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -88.35 -47.26 8.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -63.78 160.44 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.93 -82.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -43.57 112.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -58.68 134.81 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.31 -178.01 18.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 t -102.66 146.32 28.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.409 ' CG2' ' NE1' ' A' ' 29' ' ' TRP . 19.9 m -96.07 -6.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -56.68 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.49 13.69 29.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.34 34.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -112.32 154.82 44.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.48 47.91 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.238 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.0 mt -106.46 144.31 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.52 145.5 18.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.52 80.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.42 -36.64 84.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -66.14 118.73 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -61.02 105.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -101.15 167.69 10.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.54 104.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.41 ' CD2' ' C ' ' A' ' 23' ' ' HIS . 7.1 t-160 -92.43 114.4 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.478 ' CE2' ' CE2' ' A' ' 48' ' ' PHE . 4.6 t80 -151.92 144.89 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 49.9 42.85 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 59.08 29.02 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.568 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 43.6 mtt85 -129.81 178.86 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -151.36 127.99 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.6 m-90 -124.68 141.0 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -63.85 159.77 18.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -59.89 -16.61 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.432 ' O ' ' NH2' ' A' ' 35' ' ' ARG . 28.6 p -108.44 -12.98 14.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.8 m -89.4 -50.42 6.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -56.34 101.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 32' ' ' THR . 5.9 ptp85 -160.19 159.52 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.3 t -54.36 169.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.15 -16.61 13.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -96.71 -50.7 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -100.44 -11.92 19.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.8 mm? 57.55 53.57 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 42' ' ' PRO . 11.8 t60 -111.46 142.98 27.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 54.0 Cg_endo -69.74 111.5 2.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.42 24.0 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.38 94.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -111.66 4.39 18.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -116.16 159.52 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -74.24 152.36 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CE2' ' CE2' ' A' ' 24' ' ' TYR . 38.4 p90 -141.8 169.1 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.412 HG23 ' C ' ' A' ' 48' ' ' PHE . 91.6 t -140.55 134.99 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.79 108.77 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -141.38 141.43 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 54.37 40.26 31.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 51.86 35.75 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -140.5 140.97 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.09 128.34 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.3 mt -139.35 158.96 43.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.3 p -100.56 157.19 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -50.47 -47.04 57.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -48.26 -49.25 34.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.1 m -70.79 -60.61 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 64.5 p -37.71 -39.94 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.8 m -50.23 139.53 14.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -52.15 121.31 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -122.99 168.66 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.68 69.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 m -134.08 156.23 79.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.635 0.731 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 175.46 8.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -134.42 162.89 30.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.0 t -105.34 165.2 11.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.573 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.3 tmtt? -114.65 -29.86 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -35.89 90.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.6 p -122.94 -26.03 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.1 t80 75.07 45.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -124.14 154.46 40.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.19 118.66 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.4 HG12 ' NE2' ' A' ' 91' ' ' HIS . 63.4 mt -84.59 145.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 78' ' ' ALA . 34.9 t -103.47 145.42 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.419 ' N ' HG13 ' A' ' 77' ' ' VAL . . . -63.2 -49.76 72.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.61 44.95 3.02 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 82' ' ' ASN . 29.3 m-20 -143.18 132.36 23.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -51.27 116.48 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 3.0 m-20 -136.86 160.83 37.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.524 HG12 ' CD2' ' A' ' 95' ' ' PHE . 19.9 t -121.1 108.76 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.521 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 2.9 tt0 -94.18 123.06 37.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.417 ' CD1' ' HB2' ' A' ' 86' ' ' LYS . 32.7 t80 -144.97 131.34 19.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.417 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 19.6 tttm 48.14 43.38 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.4 -47.74 3.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.6 p -78.56 127.84 32.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 0.0 111.165 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.521 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -110.83 119.64 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.573 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.7 m95 -100.46 136.68 39.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.4 ' NE2' HG12 ' A' ' 76' ' ' ILE . 28.8 m80 -48.06 140.71 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -43.04 -31.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.22 -46.33 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 97.2 m -58.36 -42.07 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.524 ' CD2' HG12 ' A' ' 83' ' ' VAL . 4.0 t80 -75.1 78.49 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 m -92.59 46.16 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 97.96 -125.04 8.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 140.3 42.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.311 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.7 p -142.68 171.31 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 t -141.06 135.45 31.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.483 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -78.17 108.81 11.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -92.5 -51.94 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.01 45.31 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -134.56 41.66 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.381 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -87.38 131.13 34.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.22 171.93 40.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 36.7 t -89.33 144.33 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 m -97.64 -19.77 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -79.68 -52.79 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.72 -10.49 29.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 21.1 mmt85 61.27 29.69 18.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -109.58 154.21 42.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.11 44.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.425 HG12 ' NE2' ' A' ' 30' ' ' HIS . 59.1 mt -108.19 137.23 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.43 159.05 23.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.83 90.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -57.48 -37.08 72.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.5 m -70.4 138.82 51.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -78.05 102.79 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -99.88 150.61 22.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.7 t -107.49 105.71 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -88.71 114.88 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.401 ' CE2' ' HE2' ' A' ' 48' ' ' PHE . 4.1 t80 -152.67 134.51 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt 55.69 44.15 26.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 58.32 33.04 22.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.59 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 34.7 mmt180 -131.87 -179.58 5.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 14.9 m-85 -154.48 124.9 6.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.3 m-90 -123.07 144.26 49.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.425 ' NE2' HG12 ' A' ' 15' ' ' ILE . 11.9 m170 -64.98 160.1 21.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.45 -2.79 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.3 p -121.25 -15.98 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -87.3 -49.03 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -55.74 107.77 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -155.72 173.9 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -70.26 169.26 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.38 -15.55 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -97.56 -49.63 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.5 p -103.51 -10.88 18.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.6 mm? 59.46 53.8 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.436 ' ND1' ' HD2' ' A' ' 42' ' ' PRO . 86.1 t60 -115.9 132.92 22.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.575 0.703 . . . . 0.0 110.854 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.436 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.7 Cg_endo -69.8 117.95 5.39 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 41' ' ' HIS . 1.5 mm? -95.24 26.42 3.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.15 -44.33 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -102.31 -14.28 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -106.26 177.95 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 p -83.91 164.08 19.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 24' ' ' TYR . 51.5 p90 -152.22 173.3 15.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 50' ' ' ALA . 58.7 t -143.52 138.49 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 49' ' ' VAL . . . -110.62 111.23 22.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -141.08 144.7 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t0 53.67 43.24 31.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 49.9 34.94 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -137.97 139.12 39.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.4 mm -86.54 129.34 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -143.47 167.04 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.6 p -106.84 161.9 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -55.06 -57.29 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -43.38 -37.3 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 30.7 m -76.19 -74.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.6 p -38.65 -43.78 0.92 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.2 m -96.2 118.37 32.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -161.21 155.03 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -127.81 37.83 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.13 90.01 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.5 m -129.58 130.56 23.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 174.82 8.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.369 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -137.7 155.03 49.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.0 t -96.7 163.17 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 6.6 tptp -113.74 -29.21 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.21 -38.11 91.65 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 32.1 p -121.63 -11.92 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 62.92 48.5 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -118.16 149.8 40.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.92 108.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 77' ' ' VAL . 97.5 mt -72.27 133.36 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.423 ' N ' HG23 ' A' ' 76' ' ' ILE . 46.6 t -94.83 144.3 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.82 -52.94 21.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.14 92.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.82 156.02 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -100.9 106.54 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.8 165.16 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 41.0 t -123.94 107.44 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.473 ' N ' HG12 ' A' ' 89' ' ' VAL . 20.2 tt0 -80.31 106.37 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 84.9 t80 -108.67 96.9 6.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 19.6 mtpp 66.32 25.01 10.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.86 -53.79 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 p -74.88 125.76 29.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -94.22 142.22 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.58 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 8.7 m95 -130.3 130.41 44.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 92' ' ' LYS . 24.0 m80 -47.48 123.79 6.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 91' ' ' HIS . 16.8 tptp -32.89 -36.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 91' ' ' HIS . 7.4 m-20 -74.31 -51.86 13.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' HIS . 87.8 m -53.91 -39.62 65.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -83.28 95.5 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.8 m -112.87 -45.73 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 122.22 124.8 3.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -7.38 20.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -163.97 144.59 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.4 t -98.47 -50.26 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.436 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -84.32 48.74 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -73.12 136.09 44.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.808 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.88 -60.92 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 p -47.94 159.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -68.43 108.25 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.66 176.46 18.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.1 t -82.56 146.77 29.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.561 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -96.38 -3.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.0 -56.65 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 8.5 p -100.22 6.2 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 47.74 26.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 10.5 mmtp -102.44 157.52 33.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 137.0 34.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 16' ' ' GLY . 75.0 mt -101.79 143.07 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' N ' HG23 ' A' ' 15' ' ' ILE . . . -95.37 159.1 22.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -48.01 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -58.83 -34.96 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -70.03 130.7 42.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -77.11 103.78 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.74 167.02 11.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.71 106.74 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -91.29 117.77 29.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.409 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 61.4 t80 -151.26 121.58 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 25.1 mmmt 65.23 53.79 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 52.72 31.33 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.577 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 13.4 mmp_? -129.2 -178.58 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 18.5 m-85 -160.29 126.09 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 28.4 m-90 -122.58 141.79 51.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.411 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.9 m80 -63.4 163.66 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.07 -11.5 30.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.9 p -114.5 -13.83 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.2 m -90.1 -43.23 10.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -61.75 98.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -157.28 177.4 11.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.6 t -72.12 163.99 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.58 -6.23 16.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.047 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -107.29 -43.71 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.401 ' C ' HD22 ' A' ' 40' ' ' LEU . 30.6 p -109.93 -3.18 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.4 mm? 51.77 54.78 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -117.85 133.63 23.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.708 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 126.76 13.73 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.11 33.01 4.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.42 -47.01 82.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -113.46 -0.34 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -104.18 173.55 6.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -81.46 148.32 29.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -139.76 155.47 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.5 t -130.68 141.34 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.33 109.28 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -139.97 134.25 31.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 60.09 43.33 14.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 m120 49.34 35.26 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -140.47 128.99 22.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.5 mm -77.21 134.48 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -146.38 158.75 43.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.4 p -104.66 169.41 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -55.48 -55.53 30.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -38.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.4 m -82.32 -60.3 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' THR . 53.1 p -38.94 -35.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' THR . 77.5 m -37.28 -50.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -117.83 170.67 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.66 171.76 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.65 30.25 5.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -85.37 161.53 51.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.64 0.733 . . . . 0.0 110.89 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 172.26 12.99 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -129.2 165.85 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.0 t -106.93 167.33 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.576 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 15.9 tptm -115.95 -25.25 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.19 -42.66 35.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.2 p -120.03 -6.09 10.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.898 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 54.31 54.24 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -127.57 148.92 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.6 111.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.0 mt -73.19 133.04 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.2 t -87.02 138.17 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.91 -40.23 56.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.28 50.9 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -141.94 137.93 31.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.74 0.305 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -65.8 113.56 4.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -124.15 178.22 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 38.4 t -138.57 105.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 5.0 tt0 -94.43 128.3 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 12.7 t80 -117.11 68.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt 56.59 54.9 6.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.93 -82.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.2 p -78.07 125.59 29.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 111.199 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -114.22 134.51 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.5 m95 -116.79 145.87 43.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -52.52 142.15 18.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -39.63 -33.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -82.15 -46.44 13.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 93.6 m -57.52 -41.03 80.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CG ' HG12 ' A' ' 83' ' ' VAL . 6.0 t80 -80.52 136.78 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.9 t -155.11 120.35 4.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.24 -112.88 1.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.81 9.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 m -77.54 150.6 34.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.8 t -85.6 163.83 18.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.503 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -96.79 -58.26 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -112.42 102.72 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.84 -173.42 34.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -119.63 96.98 5.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.388 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -93.27 88.26 5.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.05 174.36 17.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 t -87.27 143.38 27.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 m -95.12 -15.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -82.2 -56.48 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -97.48 6.08 48.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 45.11 33.92 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -112.04 155.26 43.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 140.7 43.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mt -104.83 138.37 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.31 -173.35 21.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.93 -43.39 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -89.89 22.64 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 m -104.53 131.95 51.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -63.55 104.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.27 165.6 12.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.2 t -125.02 105.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -91.87 117.76 30.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.409 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 35.8 t80 -152.43 133.77 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 15.1 mmmt 53.99 44.43 29.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 60.04 34.8 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.571 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 26.2 mmt85 -129.38 -179.11 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 16.0 m-85 -159.3 125.82 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.2 m-90 -125.4 139.64 53.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -63.99 151.95 41.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -15.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -109.2 -15.94 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.2 m -89.59 -43.71 10.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -58.72 97.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -156.9 164.93 37.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.14 165.62 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.06 -5.61 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -108.36 -48.45 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' C ' HD23 ' A' ' 40' ' ' LEU . 26.4 p -102.79 -11.39 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 39' ' ' CYS . 3.3 mm? 59.76 46.54 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 42' ' ' PRO . 23.2 t60 -107.7 140.19 21.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.43 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.82 124.57 11.18 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.617 2.211 . . . . 0.0 112.346 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.448 HD21 ' N ' ' A' ' 43' ' ' LEU . 2.7 mm? -97.37 16.94 18.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.25 75.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -115.98 -1.42 12.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 47' ' ' THR . 8.7 tp10 -120.15 146.61 45.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 3.0 m -58.8 147.33 33.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 24' ' ' TYR . 44.3 p90 -128.24 163.58 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.413 ' CG1' ' HE2' ' A' ' 51' ' ' LYS . 97.7 t -133.1 133.33 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.77 108.74 20.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HE2' ' CG1' ' A' ' 49' ' ' VAL . 42.9 mtmt -141.37 143.34 33.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 51.07 44.34 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 48.58 35.69 6.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -140.79 141.24 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.6 mm -86.7 132.08 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -147.75 158.69 44.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.6 p -102.04 150.71 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -48.46 -47.15 38.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -47.77 -36.04 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.33 -55.29 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.4 p -42.07 -31.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -82.47 -47.73 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -55.83 123.19 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -95.35 35.52 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -103.93 76.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 p -174.83 155.09 1.89 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 170.25 17.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -130.17 162.35 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.4 t -103.06 165.21 11.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.2 tptm -112.16 -24.25 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.79 -37.71 33.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.2 p -119.86 -23.93 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.9 t80 71.55 47.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -125.22 153.02 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.14 120.33 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.1 mt -86.49 140.43 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 78' ' ' ALA . 22.2 t -97.67 142.14 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.431 ' N ' HG11 ' A' ' 77' ' ' VAL . . . -57.79 -42.74 84.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.66 40.94 3.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.4 137.48 30.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.72 0.295 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.19 126.83 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.464 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 2.5 p30 -142.85 170.39 15.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' TRP . 15.0 t -141.25 116.3 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.518 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.4 tt0 -107.33 137.4 45.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -128.41 -80.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -111.95 85.47 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.92 -49.02 1.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.8 m -90.18 153.54 20.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.337 . . . . 0.0 111.133 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -129.47 122.71 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.563 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.7 m95 -94.8 150.58 20.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 94' ' ' CYS . 27.0 m80 -64.54 139.65 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' HIS . 29.7 tptt -38.11 -31.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' HIS . 4.2 m-20 -84.14 -44.62 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 91' ' ' HIS . 83.7 m -59.47 -39.87 85.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.436 ' CD2' HG13 ' A' ' 83' ' ' VAL . 2.0 t80 -80.2 113.6 18.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.1 t -148.32 117.14 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.621 ' N ' ' HD2' ' A' ' 98' ' ' PRO . . . -66.31 -50.55 49.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.495 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 97' ' ' GLY . 53.7 Cg_endo -69.73 8.29 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 100' ' ' SER . 4.8 t -99.63 165.48 11.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 99' ' ' SER . 56.0 m -35.13 141.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.494 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' GLY . 88.9 p 37.69 42.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.842 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -44.33 111.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.66 79.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.7 m -71.54 145.48 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' SER . 37.1 m -36.93 -53.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.05 127.77 3.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.8 t -93.81 142.1 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 m -94.26 -1.2 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -98.81 -56.28 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 p -97.71 5.61 49.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 47.83 27.03 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -109.06 154.65 41.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 139.7 40.69 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -99.12 137.89 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.63 152.72 44.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.51 -21.74 61.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.333 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.64 12.85 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 m -92.82 136.47 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 102.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -112.73 164.97 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.7 t -119.93 104.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -92.4 118.18 30.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -152.24 125.3 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? 60.57 44.64 11.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 60.98 36.19 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.553 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.0 mmm180 -129.01 -178.48 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 16.2 m-85 -161.57 121.05 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 29.9 m-90 -122.99 140.0 53.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -66.28 153.25 43.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -15.24 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 t -108.21 -17.46 14.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.6 m -88.6 -43.8 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.73 106.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.2 ptt85 -163.46 175.98 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 t -66.69 167.42 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.01 -11.73 15.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -105.91 -52.13 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.5 p -102.22 3.99 38.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mp 43.49 49.39 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -104.9 128.97 25.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.579 0.704 . . . . 0.0 110.845 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 126.78 13.72 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -111.27 27.27 9.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.74 -38.07 66.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -112.52 -2.91 14.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -109.68 176.64 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -87.67 148.97 24.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -135.08 160.24 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.4 t -128.02 128.79 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.33 109.4 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -138.19 138.82 38.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 53.84 42.57 31.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.3 m120 51.24 37.89 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -141.33 129.92 22.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -79.71 125.19 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -138.2 156.56 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.97 165.77 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -57.44 -35.98 70.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -57.98 -47.7 82.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 88.9 m -70.91 -57.44 4.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.4 p -37.81 -48.55 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.2 p -79.87 104.87 10.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -88.5 85.44 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -132.49 40.52 3.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.16 81.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.6 m -42.1 140.9 1.47 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.813 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 168.34 21.82 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.267 . . . . 0.0 112.318 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' HD13 ' A' ' 76' ' ' ILE . 6.5 ptmt -130.69 160.7 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.2 t -99.94 163.76 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 5.6 tmtt? -118.82 -21.42 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.88 -35.58 49.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.0 p -127.71 -13.79 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.368 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 64.67 54.87 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -129.49 151.32 50.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.19 122.75 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 89' ' ' VAL . 58.0 mt -89.87 141.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.3 t -104.53 146.46 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.41 83.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.22 35.92 2.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 6.4 m-20 -144.18 130.1 19.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -51.16 127.52 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 80' ' ' ASP . 6.3 m-20 -141.07 161.79 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.563 ' CG1' ' CD2' ' A' ' 95' ' ' PHE . 20.7 t -121.77 107.94 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 18.4 tt0 -93.07 123.97 36.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -145.0 127.92 16.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt 50.99 40.39 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.73 -48.72 3.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.3 p -77.85 129.98 36.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.88 124.34 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.594 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.8 m95 -104.51 141.78 35.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 94' ' ' CYS . 30.2 m80 -53.24 134.53 39.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 91' ' ' HIS . 30.2 tptt -33.89 -33.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' HIS . 3.6 p30 -83.3 -45.28 13.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 91' ' ' HIS . 85.2 m -61.13 -34.39 74.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CD2' ' CG1' ' A' ' 83' ' ' VAL . 14.2 t80 -78.99 122.26 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.3 p -76.84 -62.35 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.92 145.24 7.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 108.0 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.1 t -99.24 95.83 7.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.8 m -124.08 112.68 17.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.514 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 p -90.8 88.43 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -97.62 97.31 8.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.47 116.93 0.62 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 t -101.1 -42.72 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -109.69 92.32 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.27 -171.6 32.28 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.432 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 t -108.31 144.45 35.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.605 ' CG2' ' NE1' ' A' ' 29' ' ' TRP . 20.5 m -95.12 -2.72 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -55.61 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 p -107.06 12.74 28.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 45.26 35.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -113.12 155.5 44.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.686 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.15 44.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 30' ' ' HIS . 66.2 mt -104.38 126.56 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.22 175.42 52.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.09 -43.66 19.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -33.54 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 p -68.16 140.3 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 103.61 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -98.47 161.69 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.75 106.43 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 6.4 t-160 -91.06 121.37 32.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 21.0 t80 -152.81 130.49 11.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.39 46.29 23.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 59.47 36.34 23.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.571 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 14.3 mmm-85 -131.91 -177.86 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 13.5 m-85 -159.09 126.25 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.605 ' NE1' ' CG2' ' A' ' 9' ' ' VAL . 32.8 m-90 -125.48 144.49 50.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.8 m80 -68.2 161.47 27.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -62.56 -16.34 55.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.7 p -114.96 10.45 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.169 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 55.8 m -114.0 -35.55 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -72.02 104.82 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 2.5 ptp180 -155.73 175.74 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.8 t -69.02 164.49 22.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.71 -9.64 16.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -105.41 -48.3 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.1 p -102.74 -11.13 18.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 40' ' ' LEU . 2.6 mm? 59.25 53.29 5.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -118.56 137.23 24.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 126.17 13.0 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.387 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 43' ' ' LEU . 1.9 mm? -104.01 27.95 7.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -59.03 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -85.27 -18.69 33.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 43' ' ' LEU . 16.8 mm-40 -102.79 174.22 5.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -81.94 148.85 28.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.425 ' HB3' ' CB ' ' A' ' 43' ' ' LEU . 50.6 p90 -126.09 162.48 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.481 ' CG1' ' HD3' ' A' ' 51' ' ' LYS . 94.2 t -132.0 138.22 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.08 109.81 14.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 1.1 mptm? -139.37 123.81 18.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 72.47 41.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 53.62 34.03 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -137.31 129.51 29.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.94 132.61 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -146.81 170.03 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.65 167.62 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.11 -45.62 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -32.53 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 33.2 m -86.39 -57.28 3.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' THR . 71.0 p -39.62 -38.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' THR . 89.0 m -37.35 136.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.33 128.12 34.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -121.44 135.94 55.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -70.45 70.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 m -150.95 160.41 32.18 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.66 9.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -139.45 158.49 44.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.0 t -94.94 166.04 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 19.8 tptt -114.29 -25.67 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.28 29.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.61 -13.42 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 61.77 46.72 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -116.53 157.74 24.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.57 119.14 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 83.6 mt -84.74 150.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.1 t -122.13 146.26 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.17 -62.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.98 -42.05 60.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.76 109.44 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -43.92 139.59 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 1.0 OUTLIER -144.25 173.99 11.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.53 HG11 ' CD2' ' A' ' 95' ' ' PHE . 22.1 t -135.4 107.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.5 tt0 -95.04 130.92 41.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' A' ' 86' ' ' LYS . 4.0 t80 -119.76 74.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HG2' ' CD1' ' A' ' 85' ' ' TYR . 7.9 mmtm 51.23 54.99 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.7 -82.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -77.99 129.57 35.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -116.97 129.42 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.58 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.6 m95 -110.1 148.8 31.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -56.8 143.39 37.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -46.31 -30.9 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -83.01 -44.97 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 99.4 m -60.3 -38.84 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.53 ' CD2' HG11 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -86.31 92.76 8.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 t -127.59 43.15 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 99.47 -155.94 19.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 162.22 42.92 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.378 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.2 t -92.54 42.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.0 p 40.69 41.96 1.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.44 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -142.79 168.46 19.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -110.19 -52.7 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.31 -163.7 25.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -128.19 -47.02 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.366 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 m -40.06 128.66 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.66 170.91 16.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.1 t -96.1 144.54 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.443 ' CG2' ' NE1' ' A' ' 29' ' ' TRP . 12.7 m -95.11 0.05 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -105.11 -55.56 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -96.46 2.02 52.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 47.67 31.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -112.43 157.57 39.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.24 44.63 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -106.12 144.32 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.66 172.01 30.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.12 -48.66 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.332 . . . . 0.0 111.081 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.72 -32.39 73.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 p -66.58 124.81 23.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -61.28 101.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -103.64 155.62 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -117.8 103.72 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -88.88 113.42 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.497 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 9.5 t80 -151.95 128.65 10.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 10.8 mmmm 61.99 47.11 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 57.29 25.69 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.529 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 38.4 mtt180 -124.02 179.76 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 14.6 m-85 -155.69 128.08 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.529 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.0 m-90 -123.86 142.18 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -66.46 158.32 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -58.23 -12.13 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 p -113.37 -14.58 12.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.2 m -91.81 -36.52 13.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -69.64 99.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -155.04 -179.22 7.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.12 168.88 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.95 -14.08 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -103.67 -40.15 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.7 p -110.53 -11.72 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mp 60.2 40.44 18.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.423 ' ND1' ' HD2' ' A' ' 42' ' ' PRO . 77.5 t60 -100.78 136.79 19.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.823 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.9 Cg_endo -69.78 125.0 11.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -101.15 13.64 34.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.24 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -97.46 -12.74 22.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -102.83 -178.14 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.6 p -88.44 154.81 20.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -136.55 160.36 39.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.2 t -135.67 126.92 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.48 109.19 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -139.64 149.14 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 42.61 43.06 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 52.6 40.06 29.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -145.27 127.06 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -80.33 132.69 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.0 mt -142.87 162.48 35.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.5 p -104.81 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -70.41 -41.6 72.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -56.42 -30.65 63.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.6 m -91.89 -63.63 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.5 p -42.52 -33.51 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 t -38.48 143.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.52 131.56 41.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -144.79 138.73 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -88.9 23.56 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 t -171.12 133.86 0.92 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 167.42 24.56 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.18 155.35 38.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.5 t -98.47 165.61 11.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 18.4 tptp -115.12 -22.54 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.93 -38.41 56.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.1 p -122.7 -18.41 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.4 t80 72.12 50.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -130.07 156.92 43.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.36 126.88 28.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 77' ' ' VAL . 52.1 mt -95.39 138.46 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.426 ' N ' HG21 ' A' ' 76' ' ' ILE . 17.6 t -102.78 149.78 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.44 -60.23 4.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.03 -37.09 7.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.56 163.63 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.466 ' HG3' ' CB ' ' A' ' 92' ' ' LYS . 5.3 pm0 -86.12 139.6 30.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.42 164.01 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.526 HG13 ' CD2' ' A' ' 95' ' ' PHE . 34.7 t -129.98 106.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 2.2 mt-10 -87.13 133.14 33.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -148.09 108.26 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.2 mttm 61.41 39.64 14.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.24 -50.78 1.88 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 p -79.04 128.71 33.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.08 150.06 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 70' ' ' LYS . 8.9 m95 -131.6 140.18 49.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' CYS . 27.3 m80 -49.99 132.53 23.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.466 ' CB ' ' HG3' ' A' ' 81' ' ' GLN . 45.0 tptt -34.33 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' HIS . 1.4 m-20 -84.1 -44.63 13.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 91' ' ' HIS . 36.2 m -58.01 -44.13 87.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.526 ' CD2' HG13 ' A' ' 83' ' ' VAL . 10.2 t80 -66.38 125.67 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.2 m -124.78 -49.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 55.11 95.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 133.2 24.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.9 m -133.72 173.11 11.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.9 t -130.07 -55.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.479 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -68.49 106.9 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -118.32 111.12 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.02 -131.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 67.15 47.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.373 . . . . 0.0 110.895 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -105.9 79.62 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.01 -171.34 29.93 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 14.7 t -101.13 150.78 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 m -99.57 -10.76 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -86.66 -57.85 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 14.3 p -102.36 9.87 39.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 20.5 mmt85 45.31 35.18 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 21.3 mmtm -111.35 156.59 40.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 141.67 46.17 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.452 HG12 ' CD2' ' A' ' 30' ' ' HIS . 72.4 mt -106.02 133.04 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.2 151.63 23.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.01 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.731 0.3 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.82 -36.97 70.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -72.43 128.22 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -59.21 105.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.0 156.41 18.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 28' ' ' PHE . 21.8 t -114.77 155.23 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -140.12 114.18 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.46 141.72 20.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm 49.79 47.24 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 55.54 31.23 16.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.509 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 13.3 mtp85 -128.12 179.77 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 42.8 m-85 -154.88 131.37 10.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.7 m-90 -126.02 150.58 47.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' HG12 ' A' ' 15' ' ' ILE . 15.7 m80 -72.22 160.53 32.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -60.39 -15.56 27.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.2 p -109.42 -17.09 13.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.2 m -88.14 -44.7 10.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -60.42 102.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' HD3' ' C ' ' A' ' 40' ' ' LEU . 10.0 ptp85 -158.48 -179.98 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 t -71.57 170.33 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.64 -18.25 13.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -98.77 -46.4 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -100.41 -15.82 17.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.7 mm? 61.13 52.39 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 42' ' ' PRO . 7.6 t60 -117.41 142.04 29.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.711 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.502 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 53.0 Cg_endo -69.86 118.75 5.86 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.505 HD21 ' N ' ' A' ' 43' ' ' LEU . 2.9 mm? -98.28 23.36 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.99 -58.32 8.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -90.38 -11.65 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -102.65 169.22 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.3 m -93.14 146.37 23.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -131.16 -179.54 5.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.449 HG12 ' CE ' ' A' ' 51' ' ' LYS . 46.6 t -142.36 125.39 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.04 108.67 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' CE ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -141.09 132.48 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 62.3 39.13 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 53.07 36.3 21.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -141.22 134.13 29.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.0 mm -82.87 129.67 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -140.65 152.28 45.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.3 p -96.58 153.17 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -39.56 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -57.83 -36.26 72.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 62' ' ' THR . 69.7 m -87.42 -55.65 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.6 p -38.32 -27.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 60' ' ' CYS . 31.1 m -72.31 85.27 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -106.47 168.57 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.85 158.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -86.8 41.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.3 p -64.26 132.29 95.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.71 0.767 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 176.34 6.88 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' C ' HD13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -130.46 153.44 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 11.1 t -101.56 169.11 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.587 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 2.8 tmtt? -114.94 -33.84 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.01 -35.28 90.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.6 p -122.03 -18.26 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 69' ' ' CYS . 22.3 m-85 63.04 49.67 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -125.82 162.35 25.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.18 101.1 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.455 ' CG2' ' OD1' ' A' ' 82' ' ' ASN . 57.9 mt -64.93 143.86 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.4 t -108.87 153.45 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.87 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.94 -41.54 68.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.01 139.17 58.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -61.6 144.99 53.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.455 ' OD1' ' CG2' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -153.08 154.28 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 21.8 t -124.95 107.73 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.8 tt0 -96.87 127.48 42.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 86' ' ' LYS . 4.0 t80 -114.67 -78.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 85' ' ' TYR . 3.5 mtpm? -131.08 84.97 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.59 -35.91 2.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.528 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.2 p -107.56 129.15 55.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -112.47 122.47 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CZ3' ' HB3' ' A' ' 70' ' ' LYS . 3.1 m95 -103.53 140.7 37.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 92' ' ' LYS . 26.2 m80 -56.16 140.98 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 91' ' ' HIS . 1.9 tppp? -33.63 -38.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 91' ' ' HIS . 6.9 t0 -78.11 -48.8 15.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' HIS . 72.6 m -57.8 -43.97 86.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.474 ' CG ' HG12 ' A' ' 83' ' ' VAL . 15.3 t80 -69.28 160.79 30.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 t -83.76 -60.1 2.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.06 -79.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 124.14 10.8 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 100' ' ' SER . 78.5 p -114.92 -50.43 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 99' ' ' SER . 13.7 t -35.2 137.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.48 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.7 p -67.63 -44.28 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 m -49.48 134.88 18.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.59 174.4 30.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -83.27 45.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -99.17 -63.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.56 146.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.3 t -87.21 144.75 26.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 m -95.01 -18.31 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -84.3 -56.35 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.2 p -92.61 2.9 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 46.46 25.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -105.46 154.04 39.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.544 0.688 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.18 47.41 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.417 HG12 ' NE2' ' A' ' 30' ' ' HIS . 28.3 mt -109.22 145.97 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.59 -173.06 38.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.62 -41.38 10.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 0.0 111.078 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.91 -32.16 73.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 p -72.18 141.01 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -78.32 101.64 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -98.6 156.66 16.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.57 103.68 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -89.83 117.96 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 27' ' ' ARG . 11.9 t80 -151.93 147.03 26.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 8.0 mmpt? 40.11 46.79 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 58.39 37.61 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.565 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 22.3 mmt180 -132.0 -178.69 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 15.5 m-85 -159.27 122.38 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.565 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.9 m-90 -124.28 141.83 51.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.417 ' NE2' HG12 ' A' ' 15' ' ' ILE . 13.9 m80 -64.74 163.35 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -15.62 33.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.1 t -110.4 -14.18 14.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.0 m -87.82 -46.89 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -59.92 109.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -166.82 172.67 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.8 t -66.94 164.73 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.19 -10.37 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -103.86 -44.5 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.8 p -104.64 -18.25 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 mt 66.32 49.98 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.425 ' ND1' ' HD2' ' A' ' 42' ' ' PRO . 79.6 t60 -112.9 136.12 21.66 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.3 Cg_endo -69.76 118.91 5.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -98.35 32.49 2.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -49.99 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -108.85 -2.77 18.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -101.63 168.83 9.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -91.44 149.11 21.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -137.15 178.8 6.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.63 135.4 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.47 110.15 22.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -141.07 149.49 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.81 46.2 3.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 47.11 42.71 13.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -145.34 139.05 26.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.4 mm -87.59 127.93 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.6 mt -142.6 153.86 43.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.6 p -96.99 171.03 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -59.69 -50.73 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -46.99 -43.12 19.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' THR . 36.0 m -75.63 -64.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.9 p -40.19 -26.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' CYS . 88.0 m -49.58 138.44 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' N ' HG22 ' A' ' 62' ' ' THR . 3.7 ptp180 -55.9 140.2 43.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 66' ' ' SER . 2.1 pp20? -158.85 179.32 9.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' CG ' ' OE1' ' A' ' 64' ' ' GLU . 1.5 p30 -60.07 76.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 64' ' ' GLU . 58.7 p -121.02 153.95 57.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 110.814 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 171.44 14.52 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -131.65 163.73 27.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.0 t -108.46 164.93 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 4.9 tptp -111.12 -24.66 10.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.42 ' N ' ' CE3' ' A' ' 90' ' ' TRP . . . -75.12 -41.72 31.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.85 -16.41 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' A' ' 70' ' ' LYS . 33.1 m-85 65.36 51.19 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -131.49 152.99 50.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.39 109.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 91.1 mt -70.65 132.63 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.1 t -82.37 144.36 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.81 -56.69 18.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.6 43.84 2.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.33 163.44 29.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -76.3 124.88 28.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.455 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -143.48 160.13 41.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' TRP . 21.7 t -127.8 108.05 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 4.6 tt0 -99.31 127.5 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.535 ' CE1' ' HG3' ' A' ' 86' ' ' LYS . 3.5 t80 -114.55 -77.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.535 ' HG3' ' CE1' ' A' ' 85' ' ' TYR . 51.3 mttm -132.24 87.79 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.13 -39.91 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 p -105.32 126.39 52.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.089 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -111.26 123.08 66.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.3 m95 -104.19 141.04 36.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -49.16 160.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -66.44 -6.64 15.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.71 -27.85 9.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.3 m -77.71 -39.28 45.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -73.96 88.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 m -127.57 96.3 4.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -38.64 105.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 159.54 53.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -147.05 179.16 7.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -123.31 156.08 36.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.192 -0.782 . . . . 0.0 112.485 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -70.96 97.43 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.836 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 t -101.05 83.96 2.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.62 174.87 16.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -73.12 -53.74 10.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.814 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.521 ' HB2' ' CG ' ' A' ' 28' ' ' PHE . 8.7 p -122.35 -48.53 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.11 165.51 0.61 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 t -104.03 146.61 28.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.417 ' HB ' ' NH2' ' A' ' 27' ' ' ARG . 12.1 m -95.52 -7.5 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -91.42 -56.0 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ARG . 13.7 p -103.22 15.84 28.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER 36.85 39.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -116.52 158.1 44.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.42 47.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 16' ' ' GLY . 88.4 mt -105.91 139.8 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.457 ' N ' HG23 ' A' ' 15' ' ' ILE . . . -96.61 165.4 23.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.92 54.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.45 -33.57 75.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.7 m -67.14 123.04 19.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -61.11 104.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -109.09 161.62 15.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.1 t -124.46 104.86 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CD2' ' CE2' ' A' ' 28' ' ' PHE . 6.2 t-160 -89.12 110.86 21.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -151.73 146.1 25.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 6.5 mtmp? 49.18 53.77 12.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER 48.76 26.89 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.566 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 5.7 mmm180 -130.59 177.15 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 6' ' ' SER . 13.2 m-85 -150.57 131.11 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.9 m-90 -125.14 145.47 49.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -66.89 169.61 7.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -4.85 20.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 t -123.62 -10.44 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 65.1 m -94.12 -29.14 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -79.49 107.65 12.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.475 ' HD3' ' CD1' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -156.78 -177.0 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 40.1 t -79.9 129.5 34.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.86 13.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' CE ' ' HB3' ' A' ' 60' ' ' CYS . 16.0 mtpp -121.09 -44.27 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.31 -2.29 13.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 40' ' ' LEU . 3.6 mm? 56.75 53.49 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -121.13 135.23 24.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.873 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 122.63 9.3 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -97.85 19.8 13.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.55 -39.23 64.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -115.75 -3.39 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -115.51 149.44 38.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.1 p -46.03 156.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -148.58 147.71 29.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.8 t -130.93 150.04 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.53 120.15 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.44 138.06 41.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 49.03 37.86 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m120 63.32 34.68 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -134.87 133.61 39.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.3 mm -82.21 134.95 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 97.6 mt -147.84 173.09 13.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' O ' ' CG2' ' A' ' 61' ' ' THR . 1.9 p -110.17 167.35 10.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -64.71 -45.02 88.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -24.29 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.436 ' HB3' ' CE ' ' A' ' 38' ' ' LYS . 18.9 m -95.45 -48.69 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 57' ' ' CYS . 34.7 p -45.77 -44.59 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.6 t -61.0 -46.54 90.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -110.79 90.53 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -93.83 -48.05 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.6 t0 49.86 34.57 7.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.37 145.31 30.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.885 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 173.4 11.03 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.703 2.269 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -120.97 154.24 36.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.7 t -97.08 165.69 11.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 1.5 tmtm? -114.22 -22.54 9.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.58 -39.97 48.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.2 p -124.49 -13.91 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 63.69 54.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -131.24 152.19 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.13 116.33 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CD1' HG21 ' A' ' 89' ' ' VAL . 30.2 mt -81.93 138.58 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.52 143.27 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' GLY . . . -52.0 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' ALA . . . -37.57 -38.62 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.02 143.61 57.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.301 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.42 ' CD ' ' HG2' ' A' ' 92' ' ' LYS . 6.7 pt20 -77.86 131.01 37.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -139.78 166.36 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 24.8 t -123.29 108.54 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 20.3 tt0 -90.23 122.73 33.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -146.41 126.86 14.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt 52.69 42.22 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.24 -46.63 3.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.8 p -80.16 128.24 33.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -109.41 123.73 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.582 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 11.7 m95 -104.8 134.4 47.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 93' ' ' ASP . 25.3 m80 -46.42 134.52 9.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.42 ' HG2' ' CD ' ' A' ' 81' ' ' GLN . 46.2 tptt -42.92 -22.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 91' ' ' HIS . 14.1 t70 -92.86 -39.05 11.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 m -62.69 -39.07 92.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -83.45 82.82 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.9 p -89.21 -49.43 6.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 143.64 120.52 1.48 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' SER . 53.4 Cg_endo -69.75 -3.05 11.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 100' ' ' SER . 36.6 m -37.51 135.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' SER . 3.3 m -36.46 150.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.481 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 p -63.76 162.4 13.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m 53.28 47.1 25.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.33 -70.8 0.82 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -53.76 125.44 18.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 m -99.17 158.65 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.85 178.07 16.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.6 t -99.51 144.67 28.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -93.62 -9.8 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.73 -54.32 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' LYS . 21.1 p -101.41 17.49 22.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 31.71 36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 11' ' ' CYS . 19.4 mttt -114.65 159.22 37.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.75 46.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.59 144.45 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.79 160.36 20.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.59 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 0.3 OUTLIER -69.73 -29.96 67.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 p -70.8 133.16 46.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' N ' ' HE2' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -64.19 104.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -105.37 148.76 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -117.19 106.06 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.35 114.7 27.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -150.81 121.99 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER 65.19 45.67 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.3 m120 59.39 28.06 17.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.525 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 38.6 mmt180 -122.34 -179.11 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 20.2 m-85 -159.88 124.43 3.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.3 m-90 -125.03 144.73 50.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -69.02 156.3 38.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -13.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 p -110.32 -18.91 13.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.6 m -86.51 -45.42 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -59.05 100.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -158.21 173.79 16.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 t -67.29 166.5 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.62 -7.39 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -106.07 -48.1 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.9 p -103.35 -12.46 17.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.3 mt 61.12 54.11 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -117.17 135.12 23.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 110.818 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 123.0 9.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.285 . . . . 0.0 112.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.06 31.42 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.2 -42.63 86.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.65 -2.21 13.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -104.41 174.03 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.9 m -86.99 150.77 23.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -141.09 174.78 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.0 t -146.5 136.15 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.86 20.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -141.05 150.04 42.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 t70 49.23 37.03 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.9 t30 52.88 36.08 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -141.43 132.84 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -76.78 126.31 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.0 mt -138.46 155.54 48.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.9 p -99.05 174.23 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -64.98 -42.47 94.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -53.76 -42.87 68.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.6 m -76.43 -59.27 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.6 p -47.69 -39.06 16.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 94.7 m -85.41 -65.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -91.32 144.11 25.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 62.44 44.17 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -107.12 89.7 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.9 m -100.35 137.22 19.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 178.2 4.8 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -137.88 159.61 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.1 t -101.23 164.83 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 1.8 tmtt? -116.26 -27.7 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.35 95.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.2 p -124.61 -21.59 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.5 t80 73.59 52.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -128.09 151.73 48.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.61 123.02 13.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.1 mt -86.51 136.96 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.27 145.5 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.27 -58.57 7.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.64 -41.49 42.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.84 113.92 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.735 0.302 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -51.5 131.48 29.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.482 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.4 OUTLIER -130.61 169.0 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.55 HG13 ' CD2' ' A' ' 95' ' ' PHE . 17.7 t -125.76 108.42 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 9.1 tt0 -94.92 124.05 38.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.576 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 86.8 t80 -143.87 106.8 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.576 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 2.8 mtpm? 65.79 54.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.31 -49.48 3.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -78.96 125.82 29.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 111.085 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -113.76 120.94 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 7.7 m95 -101.22 143.85 30.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -52.14 143.32 14.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -44.56 -28.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -88.32 -47.99 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 44.2 m -55.58 -42.57 74.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.55 ' CD2' HG13 ' A' ' 83' ' ' VAL . 8.1 t80 -70.22 110.21 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.8 t -102.1 84.54 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -124.93 -90.92 0.86 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.88 15.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.64 2.226 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.6 p -83.04 49.12 1.47 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 m -100.65 -45.05 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.491 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 m -52.26 155.43 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -81.26 104.76 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.01 82.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -78.9 -55.23 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -43.93 143.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.21 -174.76 33.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.1 t -97.87 144.07 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -96.05 -14.72 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.65 -56.52 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -91.02 -8.14 49.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 58.66 27.87 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -110.37 156.52 40.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.98 52.56 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.421 HG12 ' NE2' ' A' ' 30' ' ' HIS . 70.3 mt -111.09 146.41 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.03 157.05 19.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.472 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.9 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -56.68 -30.58 63.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -81.78 129.97 34.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -65.33 104.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.34 171.22 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.9 t -121.43 103.93 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -90.49 113.99 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -152.06 132.91 14.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.71 44.92 13.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 57.45 28.78 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 17.9 mtm180 -128.94 -179.2 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -155.59 131.72 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.493 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.0 m-90 -125.31 149.28 48.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.421 ' NE2' HG12 ' A' ' 15' ' ' ILE . 14.5 m80 -71.6 156.83 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -11.25 2.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.6 p -112.91 -16.65 12.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.0 m -89.65 -46.87 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CD2' HG21 ' A' ' 22' ' ' VAL . 27.4 t80 -55.89 103.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.475 ' NE ' HD11 ' A' ' 40' ' ' LEU . 17.4 ptt180 -160.13 168.11 26.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 t -61.79 168.96 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.25 -10.18 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -104.57 -46.37 4.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.35 -8.36 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 40' ' ' LEU . 4.3 mm? 58.25 43.87 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.552 ' CD2' ' HD2' ' A' ' 42' ' ' PRO . 3.5 t60 -105.8 130.44 23.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.857 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD2' ' CD2' ' A' ' 41' ' ' HIS . 53.7 Cg_endo -69.71 122.66 9.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -95.01 15.75 18.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.4 -37.49 62.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -115.83 -6.1 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 47' ' ' THR . 4.2 tt0 -116.21 152.45 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.451 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 23.9 p -57.73 148.62 24.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 8.6 p90 -131.27 158.8 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.9 t -131.78 152.01 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.02 108.62 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -141.21 144.51 34.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 55.65 43.86 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 47.96 35.67 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -146.95 147.28 30.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.4 128.27 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.9 mt -141.21 151.96 44.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.0 p -98.69 155.75 17.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 1.1 p30 -45.76 -55.35 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -41.67 -36.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' THR . 68.5 m -84.43 -70.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' CYS . 17.4 p -37.67 -42.9 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' THR . 19.6 p -49.34 -179.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -47.8 172.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 66.6 45.0 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' SER . 26.4 t0 -126.56 88.7 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ASP . 6.3 t -34.81 138.77 0.34 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 0.0 110.824 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.74 4.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -131.1 151.37 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.2 t -97.9 165.76 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.593 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.3 tmtt? -115.3 -22.67 9.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.08 -37.06 56.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.1 p -125.66 -12.71 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 62.98 53.76 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -135.42 151.29 50.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.64 126.72 28.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.422 HG12 ' NE2' ' A' ' 91' ' ' HIS . 45.9 mt -89.27 137.74 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 78' ' ' ALA . 47.9 t -86.17 144.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' N ' HG11 ' A' ' 77' ' ' VAL . . . -55.54 -59.88 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.62 50.0 3.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 81' ' ' GLN . 6.7 m-20 -141.38 112.06 7.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 80' ' ' ASP . 3.2 mp0 -36.28 120.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 80' ' ' ASP . 0.4 OUTLIER -136.74 159.82 40.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 19.5 t -121.63 107.87 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 3.3 tt0 -95.34 122.22 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.531 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 87.7 t80 -142.1 130.02 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.531 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 15.2 mtpp 48.89 41.85 19.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.94 -49.29 3.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.8 p -77.83 127.44 32.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.37 124.65 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.593 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.3 m95 -105.01 141.68 36.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 93' ' ' ASP . 23.9 m80 -50.94 135.73 24.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 91' ' ' HIS . 8.3 tptp -36.03 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 91' ' ' HIS . 13.5 m-20 -87.33 -44.86 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' HIS . 18.7 m -56.58 -45.2 81.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -58.47 150.84 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' GLY . 3.8 m -132.88 107.66 8.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 96' ' ' SER . . . -35.27 -66.06 0.38 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.481 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 115.0 3.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.613 2.209 . . . . 0.0 112.382 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 m -115.84 163.47 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.1 m -155.62 169.13 25.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.472 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.8 t -93.1 145.98 24.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.5 m -96.71 -14.02 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.25 -56.14 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.2 p -94.46 -1.93 52.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 52.64 29.96 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -111.22 156.5 40.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 141.3 44.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.42 HG12 ' NE2' ' A' ' 30' ' ' HIS . 72.4 mt -104.68 138.91 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.77 173.15 52.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -44.02 21.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 111.077 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.72 -36.45 75.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 p -59.6 120.17 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -68.55 105.29 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -106.25 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.6 t -123.52 106.21 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -90.51 117.94 29.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.599 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 18.6 t80 -152.6 136.91 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 10.3 mmpt? 51.77 46.81 25.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 57.95 33.45 23.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.588 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.6 mtt85 -129.96 -178.49 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 22.5 m-85 -158.92 127.54 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.588 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.1 m-90 -125.37 139.55 53.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.7 m80 -65.27 151.05 47.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -50.66 -18.05 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.3 t -105.48 -16.48 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.5 m -88.83 -46.66 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 34.1 t80 -59.61 104.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 18.4 ptt180 -163.73 168.57 19.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.15 167.32 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.68 -9.97 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -104.48 -48.37 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.0 p -103.98 -9.24 19.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.548 HD12 ' CZ ' ' A' ' 35' ' ' ARG . 2.0 mm? 57.59 48.71 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -107.18 132.06 21.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 116.28 4.49 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 1.7 mm? -86.94 25.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.0 79.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -115.66 -6.96 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG2' HD12 ' A' ' 43' ' ' LEU . 2.5 tt0 -120.22 148.08 44.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.446 ' OG1' ' ND2' ' A' ' 58' ' ' ASN . 22.3 p -51.45 166.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -145.55 164.01 32.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.705 HG12 ' HD3' ' A' ' 51' ' ' LYS . 38.8 t -141.39 131.84 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.41 113.51 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.705 ' HD3' HG12 ' A' ' 49' ' ' VAL . 2.0 mptm? -135.82 137.63 41.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 55.61 43.14 28.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 55.3 39.6 31.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -141.75 134.46 28.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.0 mm -87.06 131.67 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -147.72 159.67 43.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.831 ' O ' HG23 ' A' ' 61' ' ' THR . 18.7 p -98.78 164.91 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.446 ' ND2' ' OG1' ' A' ' 47' ' ' THR . 1.7 p30 -62.09 -33.81 75.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -62.0 -31.06 71.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.1 m -91.56 -45.14 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.831 HG23 ' O ' ' A' ' 57' ' ' CYS . 73.7 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 120.879 0.283 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -129.33 143.94 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.3 t -78.16 167.21 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.0 tmtm? -114.93 -23.13 9.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.03 -33.7 28.81 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.54 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.5 p -123.79 -17.14 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 62.11 48.91 4.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -118.79 147.73 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.61 113.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.562 HD13 ' CG2' ' A' ' 89' ' ' VAL . 90.7 mt -81.95 152.83 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.42 ' N ' HG22 ' A' ' 76' ' ' ILE . 59.4 t -122.96 145.2 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.87 -58.48 7.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.41 -40.68 92.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.61 154.13 7.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.832 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -80.89 124.51 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.442 ' OD1' HG23 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -139.53 159.93 41.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.705 HG11 ' CD2' ' A' ' 95' ' ' PHE . 29.7 t -122.16 108.39 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.666 ' HG3' HG12 ' A' ' 89' ' ' VAL . 36.0 tt0 -92.16 133.36 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 24.4 t80 -126.34 -77.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 21.1 mtpp -123.65 87.73 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.98 -46.39 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.413 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.543 HG21 ' HB2' ' A' ' 70' ' ' LYS . 1.9 m -100.73 148.99 24.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.666 HG12 ' HG3' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -122.18 128.32 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.8 m95 -100.78 135.62 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -46.78 144.85 2.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -38.43 -36.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.44 -56.17 4.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 72.6 m -48.34 -34.5 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.705 ' CD2' HG11 ' A' ' 83' ' ' VAL . 15.4 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.0 t -88.62 149.73 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 m -96.73 -23.0 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 2.7 tm-20 -79.57 -55.96 4.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' ARG . 23.7 p -95.34 9.13 41.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' CYS . 5.0 mtm105 37.6 32.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' CYS . 16.4 mttm -111.87 158.9 35.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 138.41 37.63 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.34 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.433 HG12 ' NE2' ' A' ' 30' ' ' HIS . 61.5 mt -103.28 149.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -109.39 151.2 17.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.49 95.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -56.45 -34.09 66.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -81.59 121.13 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 104.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -99.01 174.51 6.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.9 t -130.47 106.54 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -94.22 121.79 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.583 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 19.2 t80 -152.6 134.41 14.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 40.7 mmtt 51.66 46.31 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 60.29 37.98 20.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.574 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.8 mmm180 -131.08 -178.31 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.4 m-85 -161.2 122.2 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.6 m-90 -125.26 139.02 54.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' NE2' HG12 ' A' ' 15' ' ' ILE . 15.6 m80 -65.31 158.97 24.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -19.55 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -105.83 -13.3 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.9 m -90.31 -45.8 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -62.02 104.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -159.91 172.93 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.9 t -67.64 167.58 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.18 -18.35 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.052 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -97.09 -44.56 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.1 p -103.0 -21.07 13.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mt 67.11 54.97 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.534 ' O ' HD22 ' A' ' 43' ' ' LEU . 25.7 t-80 -118.36 138.34 25.59 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.521 0.677 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.87 2.41 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.3 mm? -84.61 27.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.42 -61.88 2.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -82.64 -20.17 36.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -101.18 174.77 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -87.81 163.89 16.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -136.4 165.82 24.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.5 t -136.73 122.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.23 111.56 23.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -140.17 141.95 35.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 51.46 39.53 24.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 53.81 41.99 31.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -146.34 130.31 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -78.01 129.01 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt -146.41 157.65 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.446 ' O ' HG23 ' A' ' 61' ' ' THR . 16.5 p -99.91 161.39 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -50.24 -41.84 50.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -53.54 -53.57 49.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.4 m -66.55 -57.45 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 57' ' ' CYS . 66.6 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.8 0.25 . . . . 0.0 112.398 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -141.57 157.35 45.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.6 t -95.76 162.6 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 21.9 tptt -115.21 -27.99 7.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.24 -36.63 93.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.539 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.7 p -124.7 -21.83 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.0 t80 73.74 51.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -123.69 142.84 50.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.51 119.06 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.07 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.438 HG21 ' CG ' ' A' ' 82' ' ' ASN . 94.3 mt -83.19 151.22 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.3 t -106.03 142.0 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.51 -55.05 12.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.01 -36.44 90.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.33 139.87 51.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -77.75 114.16 16.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.438 ' CG ' HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -110.33 156.99 19.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.9 t -121.23 112.2 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -95.69 111.02 23.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.545 ' CE2' ' HG3' ' A' ' 86' ' ' LYS . 21.6 t80 -98.13 -72.02 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.545 ' HG3' ' CE2' ' A' ' 85' ' ' TYR . 20.8 mttm -126.58 64.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.94 -32.22 3.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.44 HG21 ' HD3' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -96.68 126.36 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 111.171 -179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.09 140.45 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 11.2 m95 -127.74 138.85 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 93' ' ' ASP . 24.3 m170 -53.5 127.19 24.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' HIS . 37.0 tptt -36.54 -29.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 91' ' ' HIS . 43.8 m-20 -81.62 -53.99 5.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.5 m -53.34 -32.01 47.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 t -112.72 145.53 40.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.392 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.58 HG11 ' HD3' ' A' ' 27' ' ' ARG . 5.9 m -95.24 -7.45 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -56.16 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 p -104.16 11.98 34.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 46.32 28.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -109.62 154.59 42.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.555 0.693 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 142.55 48.29 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.344 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 21' ' ' GLU . 56.6 mt -105.69 145.32 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.19 171.8 31.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.434 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.52 -49.23 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.74 -33.3 66.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.3 p -74.26 121.8 21.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -66.15 104.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.0 pt-20 -95.93 168.95 10.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.81 104.36 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -92.42 115.9 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -152.43 128.13 10.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 60.89 44.54 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.1 m120 59.5 34.0 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 2.6 mmp_? -128.61 -178.72 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 26.5 m-85 -160.5 121.87 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.5 m-90 -120.75 144.43 48.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.43 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.2 m80 -64.24 160.86 17.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -7.58 4.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -119.56 -15.82 8.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -86.5 -37.96 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -67.02 105.26 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -159.39 173.89 15.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.8 t -68.0 169.94 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.46 -9.53 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -108.34 -49.91 3.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.6 p -104.52 1.24 29.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp 47.18 46.04 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -102.04 131.75 22.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 121.86 8.55 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.3 15.82 28.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.13 -56.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -107.93 -0.67 21.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.34 167.6 10.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.0 p -79.76 141.3 36.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -132.29 170.16 15.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.6 t -141.54 129.09 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.41 109.23 22.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -138.96 154.11 48.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 45.2 39.4 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 52.45 43.23 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -147.58 150.89 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.3 mm -93.34 123.53 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -137.42 161.03 37.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.2 p -102.08 150.35 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -43.43 -50.31 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.0 -55.55 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.9 m -63.65 -57.88 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.871 0.279 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -130.77 149.11 52.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.501 ' CA ' HD11 ' A' ' 76' ' ' ILE . 10.8 t -88.36 167.75 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 5.2 tmtt? -118.28 -26.27 6.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.3 -34.8 57.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.4 p -124.19 -21.18 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 71.78 51.41 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -126.92 158.11 37.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.87 118.38 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.648 HD13 ' CG2' ' A' ' 89' ' ' VAL . 48.5 mt -90.66 146.37 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.0 t -122.69 140.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.41 -65.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.13 -45.5 20.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -58.88 136.66 57.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.716 0.293 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -63.61 124.29 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.444 ' ND2' ' CG2' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -144.97 154.1 42.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.581 HG11 ' CD2' ' A' ' 95' ' ' PHE . 25.6 t -111.57 106.77 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.563 ' HG3' HG12 ' A' ' 89' ' ' VAL . 35.1 tt0 -88.76 125.98 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -147.87 113.81 5.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.1 mttm 57.58 54.31 6.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.96 -47.15 2.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.5 p -82.17 126.46 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.648 ' CG2' HD13 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -113.65 129.89 68.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.1 m95 -111.82 129.05 56.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 92' ' ' LYS . 23.1 m80 -40.24 142.62 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 91' ' ' HIS . 38.2 tptt -36.69 -36.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.55 -58.99 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 61.7 m -40.79 -46.36 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.581 ' CD2' HG11 ' A' ' 83' ' ' VAL . 9.3 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 13.3 t -89.08 152.46 21.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -97.0 -8.54 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -93.77 -57.96 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 13' ' ' LYS . 13.9 p -104.69 21.09 17.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' CYS . 21.4 mmt85 30.99 37.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' CYS . 21.3 mttp -105.32 158.36 32.35 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.543 0.687 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 135.72 31.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.464 HG21 ' HB3' ' A' ' 21' ' ' GLU . 71.5 mt -102.89 134.81 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.69 139.54 14.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.29 64.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -58.19 -34.22 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -74.58 127.06 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.94 104.92 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HB3' HG21 ' A' ' 15' ' ' ILE . 5.0 pm0 -101.04 152.48 20.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' A' ' 34' ' ' PHE . 59.3 t -114.42 103.45 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -90.4 116.63 28.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 17.3 t80 -152.47 137.26 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 55.7 mmtt 55.32 45.4 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 57.98 27.22 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.606 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.4 mmt180 -128.55 -179.68 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 7.3 m-85 -154.47 128.56 8.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.606 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.3 m-90 -122.42 139.1 54.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 38.6 m80 -62.56 157.33 20.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -13.58 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.6 t -110.41 -19.75 12.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.4 m -85.03 -44.54 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.499 ' CD2' HG21 ' A' ' 22' ' ' VAL . 23.3 t80 -59.39 99.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -156.87 171.84 19.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.3 t -65.7 164.43 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.5 -8.9 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -106.94 -45.56 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.1 p -104.7 -8.86 18.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.5 mm? 54.92 52.59 11.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.545 ' O ' HD22 ' A' ' 43' ' ' LEU . 68.8 t60 -114.98 139.32 24.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.75 126.2 13.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.545 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.4 mm? -101.54 15.35 29.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.0 -37.21 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -115.99 -5.45 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -116.74 146.18 42.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.2 p -55.28 160.46 2.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -138.21 168.91 18.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.2 t -141.0 133.85 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.79 114.3 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -140.61 132.77 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 55.82 42.08 29.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 53.93 39.72 30.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -142.57 130.83 22.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.7 125.26 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.9 mt -138.26 152.61 48.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 p -102.3 165.5 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.68 -53.02 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -41.52 -44.21 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.7 m -75.85 -64.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.853 0.272 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 165.78 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.4 t -109.33 161.97 14.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.587 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.7 tptm -113.27 -25.15 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.87 -30.17 59.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.8 p -125.89 -16.39 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 61.78 49.38 4.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -126.66 150.71 48.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.93 116.42 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.56 HG21 ' CG ' ' A' ' 82' ' ' ASN . 38.4 mt -76.94 138.99 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.6 t -73.53 143.74 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.37 -51.88 24.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.09 55.99 3.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.18 139.78 52.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -73.54 93.33 2.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.56 ' CG ' HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -98.69 153.63 18.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 t -116.17 110.17 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.509 ' CG ' HG22 ' A' ' 89' ' ' VAL . 11.6 mt-10 -84.68 130.65 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -151.27 105.56 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.22 25.34 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.28 -36.56 3.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.3 p -83.32 126.15 32.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 111.178 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 84' ' ' GLU . 2.9 t -93.74 141.36 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 5.2 m95 -131.7 134.48 45.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' ASP . 26.8 m80 -53.69 130.32 36.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' HIS . 0.7 OUTLIER -34.45 -31.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 91' ' ' HIS . 26.9 t0 -82.87 -53.84 5.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.2 m -52.06 -43.12 63.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 17.3 t -95.25 147.93 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.61 HG11 ' HD3' ' A' ' 27' ' ' ARG . 12.9 m -97.27 -9.4 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.13 -56.58 3.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 p -105.34 14.46 28.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 39.94 37.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -110.26 156.65 39.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 142.78 48.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.411 HG12 ' NE2' ' A' ' 30' ' ' HIS . 94.4 mt -111.67 144.12 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.26 -178.59 37.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.29 -43.66 12.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -68.66 -30.01 68.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -68.08 133.17 48.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -66.09 103.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.66 157.3 17.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' A' ' 34' ' ' PHE . 53.9 t -122.22 104.22 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.44 113.63 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -151.3 137.51 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt 54.96 43.09 30.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 59.21 26.97 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.61 ' HD3' HG11 ' A' ' 9' ' ' VAL . 47.0 mtt180 -128.49 177.03 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 16.2 m-85 -149.61 130.43 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.8 m-90 -124.68 140.55 52.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 42.1 m80 -65.7 150.63 48.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -49.85 -20.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 p -102.36 -19.37 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.4 m -87.23 -48.09 8.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.432 ' CD2' HG21 ' A' ' 22' ' ' VAL . 39.6 t80 -55.7 98.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -159.63 166.35 30.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.6 t -59.05 172.6 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.63 -19.93 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -92.36 -53.03 4.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.9 p -99.2 -18.27 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt 67.94 52.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -113.13 132.05 22.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 0.0 110.885 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 116.62 4.65 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.19 27.12 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.89 -60.28 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -92.91 -13.92 28.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -93.82 177.4 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 48' ' ' PHE . 47.6 m -102.78 154.39 19.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.424 ' N ' HG22 ' A' ' 47' ' ' THR . 7.5 p90 -137.26 178.43 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HB ' HG21 ' A' ' 61' ' ' THR . 89.8 t -138.43 123.29 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.35 108.82 17.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -139.87 148.22 41.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 47.65 41.25 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 m120 51.77 38.48 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -147.24 147.5 30.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.9 127.55 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -136.46 150.58 48.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.4 p -91.77 161.5 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -55.27 -43.99 75.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -33.63 66.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.2 m -80.36 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.417 HG21 ' HB ' ' A' ' 49' ' ' VAL . 36.5 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.847 0.269 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.11 158.93 36.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.1 t -101.77 165.2 11.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.634 ' HB2' HG21 ' A' ' 88' ' ' THR . 26.2 tptt -113.91 -23.02 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.18 -40.56 28.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.537 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.8 p -121.98 -13.77 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 62.3 52.34 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -123.23 153.06 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.72 106.03 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.0 mt -68.6 142.37 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 78' ' ' ALA . 63.8 t -102.66 152.41 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -60.58 -66.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.58 -41.99 34.74 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -56.21 157.22 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.803 0.335 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -90.0 128.77 36.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.565 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 1.2 p30 -131.2 176.17 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.514 ' C ' HG23 ' A' ' 89' ' ' VAL . 19.9 t -139.82 112.25 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 4.8 tt0 -102.45 134.92 44.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -123.61 -80.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -120.15 91.32 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.24 -47.74 1.7 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.634 HG21 ' HB2' ' A' ' 70' ' ' LYS . 3.4 m -96.8 155.93 16.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.565 ' CG2' ' HB2' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -133.58 126.17 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.514 ' CH2' ' HG2' ' A' ' 70' ' ' LYS . 2.5 m95 -100.39 145.95 27.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -53.95 149.23 9.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -46.83 -30.25 2.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -85.81 -50.45 7.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 87.8 m -51.47 -44.11 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -94.11 143.25 26.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.942 0.401 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 m -95.13 -5.72 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.32 -55.65 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 p -98.18 1.64 47.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? 51.72 26.4 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -108.11 157.55 35.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.43 48.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.497 HG21 ' HB3' ' A' ' 21' ' ' GLU . 61.4 mt -108.53 147.37 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.61 142.96 16.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.3 -48.92 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.094 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.04 -33.69 75.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 m -64.72 131.4 46.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -63.9 103.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.497 ' HB3' HG21 ' A' ' 15' ' ' ILE . 5.0 pt-20 -111.05 157.87 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 t -117.33 104.12 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -91.11 117.69 29.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -152.19 121.26 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.95 49.46 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 56.65 31.22 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.639 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 32.9 mtt85 -126.64 -178.78 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.1 m-85 -161.43 126.91 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.8 m-90 -125.52 140.18 52.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' NE2' HG12 ' A' ' 15' ' ' ILE . 14.1 m80 -64.25 156.35 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -55.99 -13.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -111.78 -17.62 12.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.6 m -86.41 -40.22 15.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -65.75 105.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HD3' ' C ' ' A' ' 40' ' ' LEU . 5.2 ptp85 -163.12 171.23 16.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.33 167.08 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.26 -15.14 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -100.75 -48.4 4.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.11 -9.17 21.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.703 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.0 OUTLIER 53.32 54.4 10.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.723 ' O ' HD22 ' A' ' 43' ' ' LEU . 12.3 t-80 -114.74 142.07 27.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.75 113.14 3.27 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.9 mm? -90.24 20.68 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.29 -62.07 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -81.83 -19.03 41.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -102.41 176.68 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 43' ' ' LEU . 20.7 m -82.36 155.57 24.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.408 ' N ' HG22 ' A' ' 47' ' ' THR . 43.5 p90 -130.54 158.99 38.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' ' HD3' ' A' ' 51' ' ' LYS . 77.7 t -134.43 140.92 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.56 111.82 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.45 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 6.1 mptt -141.02 135.22 30.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.63 34.43 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.1 m120 60.24 41.1 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -146.01 133.33 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.9 mm -82.96 133.27 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.0 mt -146.39 167.5 23.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.6 p -110.65 158.3 18.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -52.51 -45.62 66.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -50.03 -36.88 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.5 m -86.37 -63.17 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.848 0.27 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.41 157.62 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.4 t -97.05 164.45 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.9 tptm -111.28 -21.45 11.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.49 -34.82 34.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 7.8 p -122.07 -24.97 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 t80 74.22 49.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -121.85 164.3 17.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.89 105.19 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 91' ' ' HIS . 61.6 mt -70.78 137.51 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 78' ' ' ALA . 91.6 t -109.25 152.52 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -49.56 -60.41 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.99 -37.71 86.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.1 111.7 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.743 0.306 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.488 ' HB3' ' CG ' ' A' ' 92' ' ' LYS . 10.5 mm100 -39.79 147.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.23 156.97 38.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 22.0 t -127.41 108.15 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 3.4 tt0 -98.12 128.13 44.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 86' ' ' LYS . 3.1 t80 -114.24 -77.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 85' ' ' TYR . 34.6 mttm -134.59 84.74 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.1 -39.79 2.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.3 p -105.48 126.79 52.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 111.115 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -110.2 123.23 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.562 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.8 m95 -104.89 140.36 38.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.439 ' NE2' HG12 ' A' ' 76' ' ' ILE . 27.6 m80 -49.73 158.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.488 ' CG ' ' HB3' ' A' ' 81' ' ' GLN . 8.1 mmmt -59.95 -24.7 64.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.74 -35.2 16.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.9 m -72.42 -30.45 64.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 33.1 t -88.7 147.4 24.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.28 -22.81 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -73.13 -55.2 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.4 p -97.9 -2.57 40.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 53.85 31.08 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -107.85 156.87 37.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.572 0.701 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.46 45.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.432 HG21 ' HB3' ' A' ' 21' ' ' GLU . 85.6 mt -108.79 142.02 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.81 164.48 18.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -48.65 68.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -58.56 -36.43 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -69.26 129.86 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -68.02 105.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.2 pm0 -103.9 152.83 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.69 103.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 11.8 t-80 -88.85 117.24 27.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -152.98 126.0 8.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? 62.77 43.55 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 59.88 31.82 20.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 29' ' ' TRP . 43.9 mtt85 -130.24 -178.22 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -156.49 128.48 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.588 ' CZ2' ' HD3' ' A' ' 27' ' ' ARG . 31.2 m-90 -126.52 140.74 52.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.8 m170 -65.66 157.07 30.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -22.64 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.0 p -101.91 -15.87 16.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.66 -48.83 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -58.48 97.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HB2' ' C ' ' A' ' 41' ' ' HIS . 10.8 ptp85 -154.14 176.18 12.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 t -70.8 168.51 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.91 -13.81 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -99.98 -49.41 4.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.3 p -100.8 -11.99 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.4 mm? 60.6 49.41 6.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.615 ' O ' HD22 ' A' ' 43' ' ' LEU . 24.8 t-80 -110.6 132.93 21.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.732 . . . . 0.0 110.828 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 111.87 2.91 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.691 2.261 . . . . 0.0 112.404 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.3 mm? -86.52 25.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.09 80.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -111.08 3.6 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -114.64 170.86 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 p -75.91 158.09 32.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -148.43 162.12 40.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.496 ' HB ' HG21 ' A' ' 61' ' ' THR . 98.7 t -139.97 137.25 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.33 108.62 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HE3' HG11 ' A' ' 49' ' ' VAL . 69.6 mttt -141.46 137.44 32.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 61.81 41.97 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 49.03 36.64 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -142.47 139.96 31.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -83.7 133.24 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.6 mt -144.2 164.57 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.652 ' O ' HG23 ' A' ' 61' ' ' THR . 16.2 p -106.91 170.17 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -63.68 -44.71 92.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -51.05 -37.53 46.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' THR . 60.7 m -84.08 -62.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 57' ' ' CYS . 70.5 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.884 0.285 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.74 154.97 35.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 91' ' ' HIS . 47.5 t -92.8 163.22 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.68 ' HB2' HG21 ' A' ' 88' ' ' THR . 0.5 OUTLIER -111.44 -30.35 7.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.91 -48.4 81.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.28 -13.95 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 40.3 m-85 63.73 50.8 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -123.65 143.31 50.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.8 123.76 14.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.472 HD11 ' O ' ' A' ' 89' ' ' VAL . 94.7 mt -81.61 149.33 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.7 t -103.63 144.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.4 -56.2 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.45 92.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.53 141.62 58.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.431 ' C ' ' OD1' ' A' ' 82' ' ' ASN . 8.1 mm100 -71.01 138.75 50.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -136.25 151.12 49.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 17.1 t -122.07 108.59 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.578 ' HB2' HG13 ' A' ' 89' ' ' VAL . 25.6 tt0 -86.86 118.72 26.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.89 62.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt 66.42 37.08 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.63 -77.18 0.23 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.68 HG21 ' HB2' ' A' ' 70' ' ' LYS . 2.8 m -80.18 148.76 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.578 HG13 ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -113.41 113.44 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.631 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 15.0 m95 -93.79 134.9 35.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 93' ' ' ASP . 39.4 m80 -51.48 127.56 20.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' HIS . 39.6 tptt -34.74 -31.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 91' ' ' HIS . 17.1 m-20 -78.75 -59.93 2.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 66.3 m -48.78 -33.24 9.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.2 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 14.6 t -89.32 151.76 21.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.523 HG13 ' NE1' ' A' ' 29' ' ' TRP . 1.0 OUTLIER -96.94 -13.64 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -93.93 -57.16 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' ARG . 26.2 p -97.08 14.86 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 31.5 42.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 22.3 mmtt -116.73 158.03 44.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD2' ' HD3' ' A' ' 13' ' ' LYS . 54.2 Cg_endo -69.74 135.45 30.53 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.381 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.44 HG12 ' NE2' ' A' ' 30' ' ' HIS . 52.6 mt -104.12 153.32 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' N ' HG22 ' A' ' 15' ' ' ILE . . . -108.93 146.46 16.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.49 -49.34 67.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -55.97 -33.4 64.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -73.3 143.25 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -73.67 104.54 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 2.3 pm0 -102.95 147.87 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.6 104.02 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.75 114.42 25.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -152.79 140.82 20.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 53.42 42.47 31.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' O ' ' CZ ' ' A' ' 27' ' ' ARG . 2.2 m120 59.65 27.4 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.599 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.5 mmp_? -128.59 -178.92 4.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.5 m-85 -154.01 124.31 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.599 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.9 m-90 -119.37 139.62 51.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.44 ' NE2' HG12 ' A' ' 15' ' ' ILE . 9.7 m80 -60.81 161.77 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' OD1' HG23 ' A' ' 32' ' ' THR . 1.4 p-10 -60.78 -12.71 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.426 HG23 ' OD1' ' A' ' 31' ' ' ASP . 75.1 p -113.95 -16.8 12.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.17 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.2 m -85.66 -38.41 18.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.26 100.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -157.99 174.59 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.83 169.21 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.72 -14.22 13.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -98.13 -50.99 4.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.0 -15.58 17.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mt 65.26 54.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -119.22 134.3 23.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.823 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 127.7 14.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.287 . . . . 0.0 112.306 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.517 ' N ' HD22 ' A' ' 43' ' ' LEU . 1.5 mm? -99.37 18.49 17.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.15 -62.25 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -89.19 -15.11 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -98.48 -179.1 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.7 m -92.72 151.2 20.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -134.47 161.98 33.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.4 t -133.76 134.01 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.63 111.22 23.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -139.23 148.28 42.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 44.51 42.03 5.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t30 52.18 42.24 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -144.58 145.0 31.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -92.17 126.79 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -141.5 160.2 40.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.3 p -104.29 156.45 17.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -47.69 -56.48 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -40.86 -41.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.4 m -78.66 -62.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.902 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.798 0.249 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -138.21 130.26 28.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.465 ' HA ' HD11 ' A' ' 76' ' ' ILE . 36.7 t -64.32 164.0 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.603 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 6.0 tmtm? -111.26 -28.31 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.5 -42.78 47.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -110.57 -23.95 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 71.83 43.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -116.28 152.56 33.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.82 117.07 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.568 HD13 ' CG2' ' A' ' 89' ' ' VAL . 81.1 mt -84.0 156.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.487 ' N ' HG22 ' A' ' 76' ' ' ILE . 59.1 t -124.57 144.89 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.98 66.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.7 -40.62 99.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.56 172.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.41 93.0 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.501 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -104.68 160.49 14.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 25.0 t -119.14 106.41 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.662 ' HG3' HG12 ' A' ' 89' ' ' VAL . 58.3 tt0 -88.92 134.05 34.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -128.11 -74.87 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -125.62 87.22 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.01 -46.54 2.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -101.78 151.74 21.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.662 HG12 ' HG3' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -122.03 126.3 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.603 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.7 m95 -100.91 132.06 46.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 90' ' ' TRP . 22.2 m170 -39.99 161.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -72.26 3.4 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -119.27 -33.29 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.46 -42.39 74.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 t -102.66 146.32 28.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.551 HG21 ' HD3' ' A' ' 27' ' ' ARG . 19.9 m -96.07 -6.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -56.68 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 8.2 p -105.49 13.69 29.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.34 34.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 41.6 mmtt -112.32 154.82 44.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.48 47.91 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.238 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.507 HG21 ' HB3' ' A' ' 21' ' ' GLU . 63.0 mt -106.46 144.31 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.52 145.5 18.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.52 80.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.42 -36.64 84.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -66.14 118.73 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -61.02 105.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.2 pt-20 -101.15 167.69 10.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.54 104.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.43 114.4 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.478 ' CE2' ' CE2' ' A' ' 48' ' ' PHE . 4.6 t80 -151.92 144.89 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 49.9 42.85 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 59.08 29.02 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.587 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 43.6 mtt85 -129.81 178.86 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -151.36 127.99 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.6 m-90 -124.68 141.0 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.417 ' NE2' HG12 ' A' ' 15' ' ' ILE . 23.0 m80 -63.85 159.77 18.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -59.89 -16.61 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.432 ' O ' ' NH2' ' A' ' 35' ' ' ARG . 28.6 p -108.44 -12.98 14.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.8 m -89.4 -50.42 6.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -56.34 101.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.523 ' HD2' HD12 ' A' ' 40' ' ' LEU . 5.9 ptp85 -160.19 159.52 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' O ' HD13 ' A' ' 40' ' ' LEU . 6.3 t -54.36 169.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.15 -16.61 13.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -96.71 -50.7 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -100.44 -11.92 19.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD12 ' HD2' ' A' ' 35' ' ' ARG . 3.8 mm? 57.55 53.57 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.703 ' O ' HD22 ' A' ' 43' ' ' LEU . 13.8 t-80 -111.46 142.98 27.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 54.0 Cg_endo -69.74 111.5 2.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.4 mm? -89.42 24.0 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.38 94.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -111.66 4.39 18.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -116.16 159.52 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -74.24 152.36 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CE2' ' CE2' ' A' ' 24' ' ' TYR . 38.4 p90 -141.8 169.1 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.6 t -140.55 134.99 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.79 108.77 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -141.38 141.43 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 54.37 40.26 31.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 51.86 35.75 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -140.5 140.97 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.09 128.34 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.3 mt -139.35 158.96 43.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.414 ' O ' HG23 ' A' ' 61' ' ' THR . 18.3 p -100.56 157.19 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -50.47 -47.04 57.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -48.26 -49.25 34.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.1 m -70.79 -60.61 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 57' ' ' CYS . 64.5 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.848 0.27 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -134.42 162.89 30.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.0 t -105.34 165.2 11.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.3 tmtt? -114.65 -29.86 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -35.89 90.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.6 p -122.94 -26.03 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.1 t80 75.07 45.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -124.14 154.46 40.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.19 118.66 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.418 HD13 HG22 ' A' ' 89' ' ' VAL . 63.4 mt -84.59 145.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.9 t -103.47 145.42 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.2 -49.76 72.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.61 44.95 3.02 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 82' ' ' ASN . 29.3 m-20 -143.18 132.36 23.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -51.27 116.48 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 3.0 m-20 -136.86 160.83 37.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 19.9 t -121.1 108.76 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 2.9 tt0 -94.18 123.06 37.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 86' ' ' LYS . 32.7 t80 -144.97 131.34 19.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.436 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 19.6 tttm 48.14 43.38 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.4 -47.74 3.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.6 p -78.56 127.84 32.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 0.0 111.165 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -110.83 119.64 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.7 m95 -100.46 136.68 39.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.416 ' NE2' HG12 ' A' ' 76' ' ' ILE . 28.8 m80 -48.06 140.71 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -43.04 -31.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.22 -46.33 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 97.2 m -58.36 -42.07 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 36.7 t -89.33 144.33 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.793 HG11 ' HD2' ' A' ' 27' ' ' ARG . 21.3 m -97.64 -19.77 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -79.68 -52.79 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.72 -10.49 29.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 21.1 mmt85 61.27 29.69 18.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -109.58 154.21 42.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.11 44.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.68 HG21 ' HB3' ' A' ' 21' ' ' GLU . 59.1 mt -108.19 137.23 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.43 159.05 23.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.83 90.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -57.48 -37.08 72.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.5 m -70.4 138.82 51.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -78.05 102.79 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.68 ' HB3' HG21 ' A' ' 15' ' ' ILE . 18.6 pt-20 -99.88 150.61 22.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.7 t -107.49 105.71 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -88.71 114.88 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.402 ' CE2' ' HE2' ' A' ' 48' ' ' PHE . 4.1 t80 -152.67 134.51 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt 55.69 44.15 26.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 58.32 33.04 22.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.793 ' HD2' HG11 ' A' ' 9' ' ' VAL . 34.7 mmt180 -131.87 -179.58 5.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 14.9 m-85 -154.48 124.9 6.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.3 m-90 -123.07 144.26 49.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' NE2' HG12 ' A' ' 15' ' ' ILE . 11.9 m170 -64.98 160.1 21.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.45 -2.79 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.3 p -121.25 -15.98 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -87.3 -49.03 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -55.74 107.77 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.559 ' HD2' HD12 ' A' ' 40' ' ' LEU . 13.7 ptp180 -155.72 173.9 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -70.26 169.26 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.38 -15.55 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -97.56 -49.63 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.5 p -103.51 -10.88 18.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.559 HD12 ' HD2' ' A' ' 35' ' ' ARG . 3.6 mm? 59.46 53.8 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.5 ' O ' HD22 ' A' ' 43' ' ' LEU . 86.1 t60 -115.9 132.92 22.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.575 0.703 . . . . 0.0 110.854 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.7 Cg_endo -69.8 117.95 5.39 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.5 mm? -95.24 26.42 3.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.15 -44.33 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -102.31 -14.28 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -106.26 177.95 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 p -83.91 164.08 19.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.402 ' HE2' ' CE2' ' A' ' 24' ' ' TYR . 51.5 p90 -152.22 173.3 15.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.7 t -143.52 138.49 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.62 111.23 22.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -141.08 144.7 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t0 53.67 43.24 31.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 49.9 34.94 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -137.97 139.12 39.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.4 mm -86.54 129.34 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -143.47 167.04 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.6 p -106.84 161.9 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -55.06 -57.29 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -43.38 -37.3 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 30.7 m -76.19 -74.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.817 0.257 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 89' ' ' VAL . 22.2 mtpp -137.7 155.03 49.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 53.0 t -96.7 163.17 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 6.6 tptp -113.74 -29.21 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.21 -38.11 91.65 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 32.1 p -121.63 -11.92 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 69' ' ' CYS . 48.6 m-85 62.92 48.5 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -118.16 149.8 40.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.92 108.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.5 mt -72.27 133.36 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.83 144.3 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.82 -52.94 21.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.14 92.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.82 156.02 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -100.9 106.54 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.8 165.16 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 41.0 t -123.94 107.44 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.476 ' HB2' HG13 ' A' ' 89' ' ' VAL . 20.2 tt0 -80.31 106.37 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 84.9 t80 -108.67 96.9 6.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 19.6 mtpp 66.32 25.01 10.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.86 -53.79 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 p -74.88 125.76 29.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -94.22 142.22 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 8.7 m95 -130.3 130.41 44.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 92' ' ' LYS . 24.0 m80 -47.48 123.79 6.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 91' ' ' HIS . 16.8 tptp -32.89 -36.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 91' ' ' HIS . 7.4 m-20 -74.31 -51.86 13.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' HIS . 87.8 m -53.91 -39.62 65.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 28' ' ' PHE . 9.1 t -82.56 146.77 29.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -96.38 -3.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.0 -56.65 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 8.5 p -100.22 6.2 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 9.7 mmt180 47.74 26.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.814 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 10.5 mmtp -102.44 157.52 33.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 137.0 34.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 21' ' ' GLU . 75.0 mt -101.79 143.07 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.37 159.1 22.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -48.01 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -58.83 -34.96 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -70.03 130.7 42.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -77.11 103.78 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.504 ' HB3' HG21 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -98.74 167.02 11.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.428 HG11 ' CE2' ' A' ' 34' ' ' PHE . 47.7 t -123.71 106.74 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -91.29 117.77 29.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 61.4 t80 -151.26 121.58 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 25.1 mmmt 65.23 53.79 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 52.72 31.33 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.594 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 13.4 mmp_? -129.2 -178.58 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 18.5 m-85 -160.29 126.09 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 28.4 m-90 -122.58 141.79 51.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.9 m80 -63.4 163.66 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.07 -11.5 30.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.9 p -114.5 -13.83 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.2 m -90.1 -43.23 10.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CE2' HG11 ' A' ' 22' ' ' VAL . 21.8 t80 -61.75 98.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -157.28 177.4 11.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.6 t -72.12 163.99 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.58 -6.23 16.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.047 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -107.29 -43.71 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.93 -3.18 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.658 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.4 mm? 51.77 54.78 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -117.85 133.63 23.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.708 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 126.76 13.73 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.11 33.01 4.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.42 -47.01 82.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -113.46 -0.34 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -104.18 173.55 6.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -81.46 148.32 29.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -139.76 155.47 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.5 t -130.68 141.34 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.33 109.28 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -139.97 134.25 31.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 60.09 43.33 14.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 m120 49.34 35.26 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -140.47 128.99 22.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.5 mm -77.21 134.48 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -146.38 158.75 43.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.684 ' O ' HG23 ' A' ' 61' ' ' THR . 12.4 p -104.66 169.41 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -55.48 -55.53 30.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -38.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.4 m -82.32 -60.3 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 57' ' ' CYS . 53.1 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.85 0.271 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -129.2 165.85 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.0 t -106.93 167.33 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 15.9 tptm -115.95 -25.25 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.19 -42.66 35.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.2 p -120.03 -6.09 10.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.898 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 54.31 54.24 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -127.57 148.92 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.6 111.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.0 mt -73.19 133.04 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.2 t -87.02 138.17 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.91 -40.23 56.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.28 50.9 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -141.94 137.93 31.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.74 0.305 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -65.8 113.56 4.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.5 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -124.15 178.22 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.781 HG11 ' CD1' ' A' ' 95' ' ' PHE . 38.4 t -138.57 105.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 5.0 tt0 -94.43 128.3 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 12.7 t80 -117.11 68.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt 56.59 54.9 6.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.93 -82.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.2 p -78.07 125.59 29.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 111.199 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -114.22 134.51 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.5 m95 -116.79 145.87 43.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -52.52 142.15 18.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -39.63 -33.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -82.15 -46.44 13.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 93.6 m -57.52 -41.03 80.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.781 ' CD1' HG11 ' A' ' 83' ' ' VAL . 6.0 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 t -87.27 143.38 27.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.724 HG11 ' HD2' ' A' ' 27' ' ' ARG . 10.6 m -95.12 -15.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -82.2 -56.48 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -97.48 6.08 48.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 45.11 33.92 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -112.04 155.26 43.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 140.7 43.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.407 HG12 ' NE2' ' A' ' 30' ' ' HIS . 51.4 mt -104.83 138.37 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.31 -173.35 21.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.93 -43.39 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -89.89 22.64 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 m -104.53 131.95 51.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -63.55 104.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.27 165.6 12.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.436 HG21 ' CD2' ' A' ' 34' ' ' PHE . 52.2 t -125.02 105.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -91.87 117.76 30.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 35.8 t80 -152.43 133.77 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 15.1 mmmt 53.99 44.43 29.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.04 34.8 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.724 ' HD2' HG11 ' A' ' 9' ' ' VAL . 26.2 mmt85 -129.38 -179.11 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 16.0 m-85 -159.3 125.82 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.2 m-90 -125.4 139.64 53.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.3 m80 -63.99 151.95 41.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -15.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -109.2 -15.94 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.2 m -89.59 -43.71 10.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CD2' HG21 ' A' ' 22' ' ' VAL . 27.3 t80 -58.72 97.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.675 ' HE ' HD12 ' A' ' 40' ' ' LEU . 10.8 ptt-85 -156.9 164.93 37.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.14 165.62 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.06 -5.61 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -108.36 -48.45 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.79 -11.39 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.675 HD12 ' HE ' ' A' ' 35' ' ' ARG . 3.3 mm? 59.76 46.54 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.538 ' O ' HD22 ' A' ' 43' ' ' LEU . 23.2 t-80 -107.7 140.19 21.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.82 124.57 11.18 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.617 2.211 . . . . 0.0 112.346 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.7 mm? -97.37 16.94 18.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.25 75.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -115.98 -1.42 12.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 47' ' ' THR . 8.7 tp10 -120.15 146.61 45.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 3.0 m -58.8 147.33 33.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 24' ' ' TYR . 44.3 p90 -128.24 163.58 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.682 HG11 ' HE2' ' A' ' 51' ' ' LYS . 97.7 t -133.1 133.33 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.77 108.74 20.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.682 ' HE2' HG11 ' A' ' 49' ' ' VAL . 42.9 mtmt -141.37 143.34 33.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 51.07 44.34 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 48.58 35.69 6.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -140.79 141.24 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.6 mm -86.7 132.08 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -147.75 158.69 44.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.6 p -102.04 150.71 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -48.46 -47.15 38.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -47.77 -36.04 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.33 -55.29 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.4 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.888 0.287 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -130.17 162.35 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.4 t -103.06 165.21 11.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.701 ' HB2' HG21 ' A' ' 88' ' ' THR . 10.2 tptm -112.16 -24.25 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.79 -37.71 33.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.2 p -119.86 -23.93 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.9 t80 71.55 47.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -125.22 153.02 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.14 120.33 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.1 mt -86.49 140.43 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 79' ' ' GLY . 22.2 t -97.67 142.14 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.74 84.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.424 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -85.66 40.94 3.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.4 137.48 30.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.72 0.295 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.19 126.83 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 2.5 p30 -142.85 170.39 15.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' TRP . 15.0 t -141.25 116.3 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.4 tt0 -107.33 137.4 45.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -128.41 -80.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -111.95 85.47 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.92 -49.02 1.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.701 HG21 ' HB2' ' A' ' 70' ' ' LYS . 3.8 m -90.18 153.54 20.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.337 . . . . 0.0 111.133 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -129.47 122.71 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.7 m95 -94.8 150.58 20.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 94' ' ' CYS . 27.0 m80 -64.54 139.65 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' HIS . 29.7 tptt -38.11 -31.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' HIS . 4.2 m-20 -84.14 -44.62 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 91' ' ' HIS . 83.7 m -59.47 -39.87 85.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.8 t -93.81 142.1 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.418 HG21 ' NE ' ' A' ' 27' ' ' ARG . 5.4 m -94.26 -1.2 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -98.81 -56.28 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 p -97.71 5.61 49.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 47.83 27.03 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -109.06 154.65 41.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 139.7 40.69 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.516 HG21 ' HB3' ' A' ' 21' ' ' GLU . 60.4 mt -99.12 137.89 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.63 152.72 44.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.51 -21.74 61.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.333 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.64 12.85 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 m -92.82 136.47 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 102.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HB3' HG21 ' A' ' 15' ' ' ILE . 2.8 pp20? -112.73 164.97 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.7 t -119.93 104.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -92.4 118.18 30.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -152.24 125.3 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? 60.57 44.64 11.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 60.98 36.19 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.566 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.0 mmm180 -129.01 -178.48 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 16.2 m-85 -161.57 121.05 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 29.9 m-90 -122.99 140.0 53.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 15' ' ' ILE . 22.5 m80 -66.28 153.25 43.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -15.24 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 t -108.21 -17.46 14.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.6 m -88.6 -43.8 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.73 106.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.2 ptt85 -163.46 175.98 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 t -66.69 167.42 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.01 -11.73 15.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 6.7 ttmt -105.91 -52.13 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.5 p -102.22 3.99 38.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mp 43.49 49.39 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -104.9 128.97 25.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.579 0.704 . . . . 0.0 110.845 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.528 ' C ' HD13 ' A' ' 43' ' ' LEU . 53.6 Cg_endo -69.76 126.78 13.72 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -111.27 27.27 9.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.74 -38.07 66.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -112.52 -2.91 14.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -109.68 176.64 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -87.67 148.97 24.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -135.08 160.24 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.4 t -128.02 128.79 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.33 109.4 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -138.19 138.82 38.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 53.84 42.57 31.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.3 m120 51.24 37.89 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -141.33 129.92 22.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -79.71 125.19 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -138.2 156.56 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.97 165.77 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -57.44 -35.98 70.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -57.98 -47.7 82.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 38' ' ' LYS . 88.9 m -70.91 -57.44 4.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.844 0.268 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -130.69 160.7 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.2 t -99.94 163.76 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.6 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 5.6 tmtt? -118.82 -21.42 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.88 -35.58 49.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.0 p -127.71 -13.79 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.368 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 64.67 54.87 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -129.49 151.32 50.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.19 122.75 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.528 HD13 HG22 ' A' ' 89' ' ' VAL . 58.0 mt -89.87 141.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG12 ' H ' ' A' ' 79' ' ' GLY . 26.3 t -104.53 146.46 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.41 83.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.569 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -84.22 35.92 2.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 6.4 m-20 -144.18 130.1 19.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 81' ' ' GLN . 2.4 mp0 -51.16 127.52 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 80' ' ' ASP . 6.3 m-20 -141.07 161.79 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.086 HG11 ' CD2' ' A' ' 95' ' ' PHE . 20.7 t -121.77 107.94 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 18.4 tt0 -93.07 123.97 36.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -145.0 127.92 16.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt 50.99 40.39 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.73 -48.72 3.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.3 p -77.85 129.98 36.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.528 HG22 HD13 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -111.88 124.34 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.8 m95 -104.51 141.78 35.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 94' ' ' CYS . 30.2 m80 -53.24 134.53 39.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 91' ' ' HIS . 30.2 tptt -33.89 -33.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' HIS . 3.6 p30 -83.3 -45.28 13.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 91' ' ' HIS . 85.2 m -61.13 -34.39 74.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.086 ' CD2' HG11 ' A' ' 83' ' ' VAL . 14.2 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 15.2 t -108.31 144.45 35.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.605 ' CG2' ' NE1' ' A' ' 29' ' ' TRP . 20.5 m -95.12 -2.72 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -55.61 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 p -107.06 12.74 28.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 1.6 mpt_? 45.26 35.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -113.12 155.5 44.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.686 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.15 44.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 21' ' ' GLU . 66.2 mt -104.38 126.56 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.22 175.42 52.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.09 -43.66 19.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -33.54 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 p -68.16 140.3 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 103.61 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.551 ' HB3' HG21 ' A' ' 15' ' ' ILE . 4.8 pt-20 -98.47 161.69 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.75 106.43 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 1.6 t60 -91.06 121.37 32.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -152.81 130.49 11.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.39 46.29 23.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 59.47 36.34 23.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.588 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 14.3 mmm-85 -131.91 -177.86 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 13.5 m-85 -159.09 126.25 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.605 ' NE1' ' CG2' ' A' ' 9' ' ' VAL . 32.8 m-90 -125.48 144.49 50.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.8 m80 -68.2 161.47 27.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -62.56 -16.34 55.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.7 p -114.96 10.45 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.169 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 55.8 m -114.0 -35.55 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -72.02 104.82 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 2.5 ptp180 -155.73 175.74 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.8 t -69.02 164.49 22.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.71 -9.64 16.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -105.41 -48.3 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.1 p -102.74 -11.13 18.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.548 ' N ' HD22 ' A' ' 40' ' ' LEU . 2.6 mm? 59.25 53.29 5.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.513 ' O ' HD22 ' A' ' 43' ' ' LEU . 57.2 t-80 -118.56 137.23 24.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 126.17 13.0 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.387 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.513 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.9 mm? -104.01 27.95 7.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -59.03 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -85.27 -18.69 33.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 43' ' ' LEU . 16.8 mm-40 -102.79 174.22 5.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -81.94 148.85 28.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' HB3' ' CB ' ' A' ' 43' ' ' LEU . 50.6 p90 -126.09 162.48 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.545 HG12 ' HD3' ' A' ' 51' ' ' LYS . 94.2 t -132.0 138.22 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 51' ' ' LYS . . . -123.08 109.81 14.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HD3' HG12 ' A' ' 49' ' ' VAL . 1.1 mptm? -139.37 123.81 18.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 72.47 41.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 53.62 34.03 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -137.31 129.51 29.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.94 132.61 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -146.81 170.03 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.607 ' O ' HG23 ' A' ' 61' ' ' THR . 7.7 p -110.65 167.62 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.11 -45.62 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -32.53 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 33.2 m -86.39 -57.28 3.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 57' ' ' CYS . 71.0 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.869 0.279 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -139.45 158.49 44.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.0 t -94.94 166.04 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 19.8 tptt -114.29 -25.67 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.28 29.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.61 -13.42 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 61.77 46.72 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -116.53 157.74 24.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.57 119.14 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 83.6 mt -84.74 150.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.1 t -122.13 146.26 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.17 -62.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.98 -42.05 60.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.76 109.44 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -43.92 139.59 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.483 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 1.0 OUTLIER -144.25 173.99 11.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 22.1 t -135.4 107.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.5 tt0 -95.04 130.92 41.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.441 ' CD1' ' HG2' ' A' ' 86' ' ' LYS . 4.0 t80 -119.76 74.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.441 ' HG2' ' CD1' ' A' ' 85' ' ' TYR . 7.9 mmtm 51.23 54.99 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.7 -82.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -77.99 129.57 35.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -116.97 129.42 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.6 m95 -110.1 148.8 31.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -56.8 143.39 37.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -46.31 -30.9 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -83.01 -44.97 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 99.4 m -60.3 -38.84 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.1 t -96.1 144.54 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.679 HG11 ' HD3' ' A' ' 27' ' ' ARG . 12.7 m -95.11 0.05 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -105.11 -55.56 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -96.46 2.02 52.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 47.67 31.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -112.43 157.57 39.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.24 44.63 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -106.12 144.32 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.66 172.01 30.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.12 -48.66 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.332 . . . . 0.0 111.081 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.72 -32.39 73.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 p -66.58 124.81 23.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -61.28 101.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -103.64 155.62 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.699 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.9 t -117.8 103.72 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -88.88 113.42 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 9.5 t80 -151.95 128.65 10.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 10.8 mmmm 61.99 47.11 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 57.29 25.69 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.679 ' HD3' HG11 ' A' ' 9' ' ' VAL . 38.4 mtt180 -124.02 179.76 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 14.6 m-85 -155.69 128.08 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.0 m-90 -123.86 142.18 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -66.46 158.32 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -58.23 -12.13 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 p -113.37 -14.58 12.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.2 m -91.81 -36.52 13.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CD2' HG21 ' A' ' 22' ' ' VAL . 31.3 t80 -69.64 99.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -155.04 -179.22 7.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.12 168.88 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.95 -14.08 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -103.67 -40.15 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.7 p -110.53 -11.72 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mp 60.2 40.44 18.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.44 ' O ' HD22 ' A' ' 43' ' ' LEU . 77.5 t60 -100.78 136.79 19.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.823 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.9 Cg_endo -69.78 125.0 11.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.44 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.5 mm? -101.15 13.64 34.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.24 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -97.46 -12.74 22.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -102.83 -178.14 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.6 p -88.44 154.81 20.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -136.55 160.36 39.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.2 t -135.67 126.92 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.48 109.19 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -139.64 149.14 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 42.61 43.06 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 52.6 40.06 29.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -145.27 127.06 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -80.33 132.69 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.0 mt -142.87 162.48 35.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.5 p -104.81 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -70.41 -41.6 72.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -56.42 -30.65 63.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.6 m -91.89 -63.63 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.876 0.282 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.18 155.35 38.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.5 t -98.47 165.61 11.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 18.4 tptp -115.12 -22.54 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.93 -38.41 56.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.1 p -122.7 -18.41 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.4 t80 72.12 50.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -130.07 156.92 43.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.36 126.88 28.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.412 HG12 ' NE2' ' A' ' 91' ' ' HIS . 52.1 mt -95.39 138.46 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.6 t -102.78 149.78 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.44 -60.23 4.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.03 -37.09 7.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.56 163.63 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.489 ' HG3' ' CB ' ' A' ' 92' ' ' LYS . 5.3 pm0 -86.12 139.6 30.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.42 164.01 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 34.7 t -129.98 106.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 2.2 mt-10 -87.13 133.14 33.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -148.09 108.26 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.2 mttm 61.41 39.64 14.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.24 -50.78 1.88 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 p -79.04 128.71 33.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.08 150.06 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.572 ' CZ2' ' HB3' ' A' ' 70' ' ' LYS . 8.9 m95 -131.6 140.18 49.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' CYS . 27.3 m80 -49.99 132.53 23.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 81' ' ' GLN . 45.0 tptt -34.33 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' HIS . 1.4 m-20 -84.1 -44.63 13.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 91' ' ' HIS . 36.2 m -58.01 -44.13 87.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 14.7 t -101.13 150.78 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.669 HG11 ' HE ' ' A' ' 27' ' ' ARG . 21.6 m -99.57 -10.76 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -86.66 -57.85 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 14.3 p -102.36 9.87 39.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 20.5 mmt85 45.31 35.18 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 21.3 mmtm -111.35 156.59 40.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 141.67 46.17 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.584 HG21 ' CB ' ' A' ' 21' ' ' GLU . 72.4 mt -106.02 133.04 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.2 151.63 23.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.01 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.731 0.3 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.82 -36.97 70.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -72.43 128.22 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -59.21 105.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.584 ' CB ' HG21 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -105.0 156.41 18.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.8 t -114.77 155.23 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.426 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -140.12 114.18 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.46 141.72 20.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm 49.79 47.24 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 55.54 31.23 16.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.669 ' HE ' HG11 ' A' ' 9' ' ' VAL . 13.3 mtp85 -128.12 179.77 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 42.8 m-85 -154.88 131.37 10.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.7 m-90 -126.02 150.58 47.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.467 ' CD2' HG12 ' A' ' 15' ' ' ILE . 15.7 m80 -72.22 160.53 32.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -60.39 -15.56 27.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.2 p -109.42 -17.09 13.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.2 m -88.14 -44.7 10.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CD2' HG21 ' A' ' 22' ' ' VAL . 22.6 t80 -60.42 102.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' A' ' 40' ' ' LEU . 10.0 ptp85 -158.48 -179.98 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 t -71.57 170.33 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.64 -18.25 13.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -98.77 -46.4 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -100.41 -15.82 17.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 3.7 mm? 61.13 52.39 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.742 ' O ' HD22 ' A' ' 43' ' ' LEU . 8.9 t-80 -117.41 142.04 29.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.711 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.0 Cg_endo -69.86 118.75 5.86 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.742 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.9 mm? -98.28 23.36 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.99 -58.32 8.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -90.38 -11.65 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -102.65 169.22 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.3 m -93.14 146.37 23.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -131.16 -179.54 5.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 51' ' ' LYS . 46.6 t -142.36 125.39 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.04 108.67 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' HE3' ' CG1' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -141.09 132.48 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 62.3 39.13 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 53.07 36.3 21.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -141.22 134.13 29.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.0 mm -82.87 129.67 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -140.65 152.28 45.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.3 p -96.58 153.17 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -39.56 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -57.83 -36.26 72.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.7 m -87.42 -55.65 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.447 HG21 ' HB ' ' A' ' 49' ' ' VAL . 62.6 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.841 0.267 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.46 153.44 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 11.1 t -101.56 169.11 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 2.8 tmtt? -114.94 -33.84 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.01 -35.28 90.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.6 p -122.03 -18.26 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 69' ' ' CYS . 22.3 m-85 63.04 49.67 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -125.82 162.35 25.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.18 101.1 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.455 ' CG2' ' OD1' ' A' ' 82' ' ' ASN . 57.9 mt -64.93 143.86 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 78' ' ' ALA . 88.4 t -108.87 153.45 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -58.37 -60.87 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.94 -41.54 68.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.01 139.17 58.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -61.6 144.99 53.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.455 ' OD1' ' CG2' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -153.08 154.28 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.587 HG11 ' CD2' ' A' ' 95' ' ' PHE . 21.8 t -124.95 107.73 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.8 tt0 -96.87 127.48 42.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 86' ' ' LYS . 4.0 t80 -114.67 -78.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' A' ' 85' ' ' TYR . 3.5 mtpm? -131.08 84.97 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.59 -35.91 2.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.528 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.2 p -107.56 129.15 55.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -112.47 122.47 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 70' ' ' LYS . 3.1 m95 -103.53 140.7 37.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 92' ' ' LYS . 26.2 m80 -56.16 140.98 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 91' ' ' HIS . 1.9 tppp? -33.63 -38.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 91' ' ' HIS . 6.9 t0 -78.11 -48.8 15.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' HIS . 72.6 m -57.8 -43.97 86.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.587 ' CD2' HG11 ' A' ' 83' ' ' VAL . 15.3 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.3 t -87.21 144.75 26.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.753 HG11 ' HD2' ' A' ' 27' ' ' ARG . 5.0 m -95.01 -18.31 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -84.3 -56.35 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.2 p -92.61 2.9 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 46.46 25.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -105.46 154.04 39.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.544 0.688 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.18 47.41 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.435 HG12 ' NE2' ' A' ' 30' ' ' HIS . 28.3 mt -109.22 145.97 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.59 -173.06 38.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.62 -41.38 10.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 0.0 111.078 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.91 -32.16 73.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 p -72.18 141.01 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -78.32 101.64 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -98.6 156.66 16.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.57 103.68 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.83 117.96 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 11.9 t80 -151.93 147.03 26.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 8.0 mmpt? 40.11 46.79 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 58.39 37.61 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.753 ' HD2' HG11 ' A' ' 9' ' ' VAL . 22.3 mmt180 -132.0 -178.69 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 15.5 m-85 -159.27 122.38 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.9 m-90 -124.28 141.83 51.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.435 ' NE2' HG12 ' A' ' 15' ' ' ILE . 13.9 m80 -64.74 163.35 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -15.62 33.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.1 t -110.4 -14.18 14.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.0 m -87.82 -46.89 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -59.92 109.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -166.82 172.67 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.8 t -66.94 164.73 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.19 -10.37 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -103.86 -44.5 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.8 p -104.64 -18.25 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 mt 66.32 49.98 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.577 ' O ' HD22 ' A' ' 43' ' ' LEU . 79.6 t60 -112.9 136.12 21.66 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.429 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.3 Cg_endo -69.76 118.91 5.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.6 mm? -98.35 32.49 2.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -49.99 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -108.85 -2.77 18.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -101.63 168.83 9.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -91.44 149.11 21.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -137.15 178.8 6.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.63 135.4 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.47 110.15 22.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -141.07 149.49 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.81 46.2 3.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 47.11 42.71 13.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -145.34 139.05 26.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.4 mm -87.59 127.93 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.6 mt -142.6 153.86 43.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.407 ' O ' HG23 ' A' ' 61' ' ' THR . 13.6 p -96.99 171.03 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -59.69 -50.73 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -46.99 -43.12 19.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.0 m -75.63 -64.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 57' ' ' CYS . 75.9 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.843 0.268 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -131.65 163.73 27.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.0 t -108.46 164.93 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 4.9 tptp -111.12 -24.66 10.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.42 ' N ' ' CE3' ' A' ' 90' ' ' TRP . . . -75.12 -41.72 31.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.85 -16.41 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' A' ' 70' ' ' LYS . 33.1 m-85 65.36 51.19 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -131.49 152.99 50.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.39 109.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 91.1 mt -70.65 132.63 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 80' ' ' ASP . 48.1 t -82.37 144.36 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.81 -56.69 18.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.6 43.84 2.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.409 ' CG ' ' HB ' ' A' ' 77' ' ' VAL . 1.2 m-20 -133.33 163.44 29.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -76.3 124.88 28.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.474 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -143.48 160.13 41.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.443 ' C ' HG23 ' A' ' 89' ' ' VAL . 21.7 t -127.8 108.05 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 4.6 tt0 -99.31 127.5 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' A' ' 86' ' ' LYS . 3.5 t80 -114.55 -77.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.537 ' HG3' ' CE1' ' A' ' 85' ' ' TYR . 51.3 mttm -132.24 87.79 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.13 -39.91 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 p -105.32 126.39 52.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.089 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -111.26 123.08 66.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.3 m95 -104.19 141.04 36.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -49.16 160.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -66.44 -6.64 15.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.71 -27.85 9.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.3 m -77.71 -39.28 45.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 t -104.03 146.61 28.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.8 HG11 ' NE ' ' A' ' 27' ' ' ARG . 12.1 m -95.52 -7.5 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -91.42 -56.0 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ARG . 13.7 p -103.22 15.84 28.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER 36.85 39.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -116.52 158.1 44.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.42 47.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' A' ' 21' ' ' GLU . 88.4 mt -105.91 139.8 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.61 165.4 23.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.92 54.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.45 -33.57 75.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.7 m -67.14 123.04 19.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -61.11 104.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HB3' HG21 ' A' ' 15' ' ' ILE . 3.7 pt-20 -109.09 161.62 15.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.1 t -124.46 104.86 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -89.12 110.86 21.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -151.73 146.1 25.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 6.5 mtmp? 49.18 53.77 12.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER 48.76 26.89 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.8 ' NE ' HG11 ' A' ' 9' ' ' VAL . 5.7 mmm180 -130.59 177.15 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -150.57 131.11 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.9 m-90 -125.14 145.47 49.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -66.89 169.61 7.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -4.85 20.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 t -123.62 -10.44 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 65.1 m -94.12 -29.14 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -79.49 107.65 12.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.498 ' HD3' ' CD1' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -156.78 -177.0 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.425 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 40.1 t -79.9 129.5 34.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.86 13.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HD3' HD22 ' A' ' 56' ' ' LEU . 16.0 mtpp -121.09 -44.27 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.31 -2.29 13.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.498 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 3.6 mm? 56.75 53.49 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.5 ' O ' HD22 ' A' ' 43' ' ' LEU . 55.9 t60 -121.13 135.23 24.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.873 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 122.63 9.3 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.7 mm? -97.85 19.8 13.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.55 -39.23 64.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -115.75 -3.39 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.445 ' CG ' HD12 ' A' ' 43' ' ' LEU . 5.7 tp10 -115.51 149.44 38.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.1 p -46.03 156.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -148.58 147.71 29.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG12 ' HD3' ' A' ' 51' ' ' LYS . 39.8 t -130.93 150.04 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.53 120.15 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HD3' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -136.44 138.06 41.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 49.03 37.86 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m120 63.32 34.68 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -134.87 133.61 39.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.3 mm -82.21 134.95 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.572 HD22 ' HD3' ' A' ' 38' ' ' LYS . 97.6 mt -147.84 173.09 13.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.993 ' O ' HG23 ' A' ' 61' ' ' THR . 1.9 p -110.17 167.35 10.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -64.71 -45.02 88.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -24.29 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.426 ' HB3' ' CE ' ' A' ' 38' ' ' LYS . 18.9 m -95.45 -48.69 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.993 HG23 ' O ' ' A' ' 57' ' ' CYS . 34.7 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.847 0.27 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -120.97 154.24 36.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.7 t -97.08 165.69 11.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 1.5 tmtm? -114.22 -22.54 9.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.58 -39.97 48.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.2 p -124.49 -13.91 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 63.69 54.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -131.24 152.19 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.13 116.33 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.489 HD13 HG22 ' A' ' 89' ' ' VAL . 30.2 mt -81.93 138.58 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.52 143.27 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' GLY . . . -52.0 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' ALA . . . -37.57 -38.62 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.02 143.61 57.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.301 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.419 ' CD ' ' HG2' ' A' ' 92' ' ' LYS . 6.7 pt20 -77.86 131.01 37.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -139.78 166.36 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 24.8 t -123.29 108.54 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 20.3 tt0 -90.23 122.73 33.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -146.41 126.86 14.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt 52.69 42.22 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.24 -46.63 3.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.8 p -80.16 128.24 33.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -109.41 123.73 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.58 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 11.7 m95 -104.8 134.4 47.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 93' ' ' ASP . 25.3 m80 -46.42 134.52 9.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HG2' ' CD ' ' A' ' 81' ' ' GLN . 46.2 tptt -42.92 -22.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 91' ' ' HIS . 14.1 t70 -92.86 -39.05 11.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 m -62.69 -39.07 92.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.6 t -99.51 144.67 28.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.896 HG11 ' HD2' ' A' ' 27' ' ' ARG . 12.3 m -93.62 -9.8 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.73 -54.32 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' LYS . 21.1 p -101.41 17.49 22.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 31.71 36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 11' ' ' CYS . 19.4 mttt -114.65 159.22 37.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.75 46.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.417 HG12 ' NE2' ' A' ' 30' ' ' HIS . 67.2 mt -106.59 144.45 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.79 160.36 20.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.59 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 0.3 OUTLIER -69.73 -29.96 67.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 p -70.8 133.16 46.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -64.19 104.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -105.37 148.76 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -117.19 106.06 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -91.35 114.7 27.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -150.81 121.99 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER 65.19 45.67 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.3 m120 59.39 28.06 17.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.896 ' HD2' HG11 ' A' ' 9' ' ' VAL . 38.6 mmt180 -122.34 -179.11 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 20.2 m-85 -159.88 124.43 3.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.3 m-90 -125.03 144.73 50.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.417 ' NE2' HG12 ' A' ' 15' ' ' ILE . 22.2 m80 -69.02 156.3 38.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -13.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 p -110.32 -18.91 13.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.6 m -86.51 -45.42 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -59.05 100.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -158.21 173.79 16.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 t -67.29 166.5 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.62 -7.39 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -106.07 -48.1 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.9 p -103.35 -12.46 17.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.3 mt 61.12 54.11 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -117.17 135.12 23.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 110.818 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 123.0 9.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.285 . . . . 0.0 112.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.06 31.42 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.2 -42.63 86.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.65 -2.21 13.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -104.41 174.03 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.9 m -86.99 150.77 23.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -141.09 174.78 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.0 t -146.5 136.15 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.86 20.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -141.05 150.04 42.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 t70 49.23 37.03 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.9 t30 52.88 36.08 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -141.43 132.84 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -76.78 126.31 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.0 mt -138.46 155.54 48.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 61' ' ' THR . 18.9 p -99.05 174.23 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -64.98 -42.47 94.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -53.76 -42.87 68.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.6 m -76.43 -59.27 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 57' ' ' CYS . 68.6 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.847 0.27 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -137.88 159.61 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.1 t -101.23 164.83 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 1.8 tmtt? -116.26 -27.7 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.35 95.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.2 p -124.61 -21.59 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.5 t80 73.59 52.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -128.09 151.73 48.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.61 123.02 13.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.1 mt -86.51 136.96 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.27 145.5 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.27 -58.57 7.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.64 -41.49 42.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.84 113.92 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.735 0.302 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -51.5 131.48 29.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.497 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -130.61 169.0 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 17.7 t -125.76 108.42 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 9.1 tt0 -94.92 124.05 38.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.585 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 86.8 t80 -143.87 106.8 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.585 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 2.8 mtpm? 65.79 54.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.31 -49.48 3.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -78.96 125.82 29.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 111.085 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -113.76 120.94 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 7.7 m95 -101.22 143.85 30.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -52.14 143.32 14.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -44.56 -28.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -88.32 -47.99 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 44.2 m -55.58 -42.57 74.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.1 t -97.87 144.07 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -96.05 -14.72 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.65 -56.52 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -91.02 -8.14 49.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 58.66 27.87 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -110.37 156.52 40.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.98 52.56 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.444 HG12 ' NE2' ' A' ' 30' ' ' HIS . 70.3 mt -111.09 146.41 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.03 157.05 19.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.472 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.9 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -56.68 -30.58 63.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -81.78 129.97 34.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -65.33 104.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.34 171.22 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.501 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.9 t -121.43 103.93 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -90.49 113.99 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -152.06 132.91 14.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.71 44.92 13.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 57.45 28.78 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.512 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 17.9 mtm180 -128.94 -179.2 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -155.59 131.72 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.0 m-90 -125.31 149.28 48.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' NE2' HG12 ' A' ' 15' ' ' ILE . 14.5 m80 -71.6 156.83 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -11.25 2.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.6 p -112.91 -16.65 12.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.0 m -89.65 -46.87 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CD2' HG21 ' A' ' 22' ' ' VAL . 27.4 t80 -55.89 103.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.496 ' NE ' HD12 ' A' ' 40' ' ' LEU . 17.4 ptt180 -160.13 168.11 26.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 t -61.79 168.96 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.25 -10.18 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -104.57 -46.37 4.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.35 -8.36 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.496 HD12 ' NE ' ' A' ' 35' ' ' ARG . 4.3 mm? 58.25 43.87 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -105.8 130.44 23.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 122.66 9.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.479 HD12 ' HG2' ' A' ' 46' ' ' GLU . 1.3 mm? -95.01 15.75 18.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.4 -37.49 62.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -115.83 -6.1 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HG2' HD12 ' A' ' 43' ' ' LEU . 4.2 tt0 -116.21 152.45 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 23.9 p -57.73 148.62 24.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 8.6 p90 -131.27 158.8 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 50' ' ' ALA . 96.9 t -131.78 152.01 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -118.02 108.62 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -141.21 144.51 34.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 55.65 43.86 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m120 47.96 35.67 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -146.95 147.28 30.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.4 128.27 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.9 mt -141.21 151.96 44.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.0 p -98.69 155.75 17.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 1.1 p30 -45.76 -55.35 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -41.67 -36.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' THR . 68.5 m -84.43 -70.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' CYS . 17.4 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.807 0.253 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -131.1 151.37 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.2 t -97.9 165.76 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.3 tmtt? -115.3 -22.67 9.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.08 -37.06 56.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.1 p -125.66 -12.71 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 62.98 53.76 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -135.42 151.29 50.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.64 126.72 28.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 91' ' ' HIS . 45.9 mt -89.27 137.74 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.17 144.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.54 -59.88 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.62 50.0 3.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 81' ' ' GLN . 6.7 m-20 -141.38 112.06 7.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 80' ' ' ASP . 3.2 mp0 -36.28 120.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.74 159.82 40.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 19.5 t -121.63 107.87 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 3.3 tt0 -95.34 122.22 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.552 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 87.7 t80 -142.1 130.02 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.552 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 15.2 mtpp 48.89 41.85 19.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.94 -49.29 3.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.8 p -77.83 127.44 32.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -111.37 124.65 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.3 m95 -105.01 141.68 36.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 93' ' ' ASP . 23.9 m80 -50.94 135.73 24.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 91' ' ' HIS . 8.3 tptp -36.03 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 91' ' ' HIS . 13.5 m-20 -87.33 -44.86 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' HIS . 18.7 m -56.58 -45.2 81.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.0 t80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 p -87.34 -21.8 25.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.894 0.378 . . . . 0.0 110.894 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 m -133.07 -47.61 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.76 86.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -138.6 111.51 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.841 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -48.37 125.04 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.86 173.89 16.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.8 t -93.1 145.98 24.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.5 m -96.71 -14.02 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.25 -56.14 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.2 p -94.46 -1.93 52.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 52.64 29.96 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -111.22 156.5 40.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 141.3 44.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.42 HG12 ' NE2' ' A' ' 30' ' ' HIS . 72.4 mt -104.68 138.91 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.77 173.15 52.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -44.02 21.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 111.077 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.72 -36.45 75.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 p -59.6 120.17 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -68.55 105.29 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -106.25 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.6 t -123.52 106.21 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -90.51 117.94 29.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.599 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 18.6 t80 -152.6 136.91 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 10.3 mmpt? 51.77 46.81 25.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 57.95 33.45 23.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.588 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.6 mtt85 -129.96 -178.49 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 22.5 m-85 -158.92 127.54 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.588 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.1 m-90 -125.37 139.55 53.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.7 m80 -65.27 151.05 47.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -50.66 -18.05 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.3 t -105.48 -16.48 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.5 m -88.83 -46.66 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 34.1 t80 -59.61 104.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 18.4 ptt180 -163.73 168.57 19.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.15 167.32 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.68 -9.97 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -104.48 -48.37 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.0 p -103.98 -9.24 19.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.548 HD12 ' CZ ' ' A' ' 35' ' ' ARG . 2.0 mm? 57.59 48.71 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -107.18 132.06 21.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 116.28 4.49 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 1.7 mm? -86.94 25.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.0 79.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -115.66 -6.96 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG2' HD12 ' A' ' 43' ' ' LEU . 2.5 tt0 -120.22 148.08 44.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.446 ' OG1' ' ND2' ' A' ' 58' ' ' ASN . 22.3 p -51.45 166.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -145.55 164.01 32.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.705 HG12 ' HD3' ' A' ' 51' ' ' LYS . 38.8 t -141.39 131.84 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.41 113.51 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.705 ' HD3' HG12 ' A' ' 49' ' ' VAL . 2.0 mptm? -135.82 137.63 41.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 55.61 43.14 28.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 55.3 39.6 31.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -141.75 134.46 28.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.0 mm -87.06 131.67 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -147.72 159.67 43.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.831 ' O ' HG23 ' A' ' 61' ' ' THR . 18.7 p -98.78 164.91 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.446 ' ND2' ' OG1' ' A' ' 47' ' ' THR . 1.7 p30 -62.09 -33.81 75.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -62.0 -31.06 71.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.1 m -91.56 -45.14 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.831 HG23 ' O ' ' A' ' 57' ' ' CYS . 73.7 p -38.75 -44.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 t -48.11 175.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 56.43 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 1.2 pp20? -120.21 35.28 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -118.61 81.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.6 m -44.25 161.62 0.21 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.655 0.74 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 147.07 62.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -129.33 143.94 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.3 t -78.16 167.21 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.0 tmtm? -114.93 -23.13 9.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.03 -33.7 28.81 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.54 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.5 p -123.79 -17.14 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 62.11 48.91 4.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -118.79 147.73 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.61 113.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.562 HD13 ' CG2' ' A' ' 89' ' ' VAL . 90.7 mt -81.95 152.83 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.42 ' N ' HG22 ' A' ' 76' ' ' ILE . 59.4 t -122.96 145.2 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.87 -58.48 7.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.41 -40.68 92.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.61 154.13 7.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.832 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -80.89 124.51 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.442 ' OD1' HG23 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -139.53 159.93 41.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.705 HG11 ' CD2' ' A' ' 95' ' ' PHE . 29.7 t -122.16 108.39 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.666 ' HG3' HG12 ' A' ' 89' ' ' VAL . 36.0 tt0 -92.16 133.36 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 24.4 t80 -126.34 -77.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 21.1 mtpp -123.65 87.73 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.98 -46.39 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.413 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.543 HG21 ' HB2' ' A' ' 70' ' ' LYS . 1.9 m -100.73 148.99 24.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.666 HG12 ' HG3' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -122.18 128.32 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.8 m95 -100.78 135.62 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -46.78 144.85 2.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -38.43 -36.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.44 -56.17 4.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 72.6 m -48.34 -34.5 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.705 ' CD2' HG11 ' A' ' 83' ' ' VAL . 15.4 t80 -82.76 121.48 26.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -108.43 78.84 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -68.29 150.94 51.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.55 3.42 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.0 p -47.11 -24.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.1 m -165.99 163.01 18.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.48 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m 60.44 44.26 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -59.9 -43.21 94.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.58 -34.99 62.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m 58.37 45.58 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.91 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m -137.85 175.32 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.04 166.01 38.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.0 t -88.62 149.73 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 m -96.73 -23.0 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 2.7 tm-20 -79.57 -55.96 4.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' ARG . 23.7 p -95.34 9.13 41.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' CYS . 5.0 mtm105 37.6 32.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' CYS . 16.4 mttm -111.87 158.9 35.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 138.41 37.63 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.34 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.433 HG12 ' NE2' ' A' ' 30' ' ' HIS . 61.5 mt -103.28 149.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -109.39 151.2 17.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.49 95.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -56.45 -34.09 66.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -81.59 121.13 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 104.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -99.01 174.51 6.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.9 t -130.47 106.54 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -94.22 121.79 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.583 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 19.2 t80 -152.6 134.41 14.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 40.7 mmtt 51.66 46.31 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 60.29 37.98 20.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.574 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.8 mmm180 -131.08 -178.31 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.4 m-85 -161.2 122.2 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.6 m-90 -125.26 139.02 54.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' NE2' HG12 ' A' ' 15' ' ' ILE . 15.6 m80 -65.31 158.97 24.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -19.55 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -105.83 -13.3 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.9 m -90.31 -45.8 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -62.02 104.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -159.91 172.93 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.9 t -67.64 167.58 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.18 -18.35 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.052 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -97.09 -44.56 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.1 p -103.0 -21.07 13.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mt 67.11 54.97 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.534 ' O ' HD22 ' A' ' 43' ' ' LEU . 25.7 t-80 -118.36 138.34 25.59 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.521 0.677 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.87 2.41 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.3 mm? -84.61 27.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.42 -61.88 2.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -82.64 -20.17 36.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -101.18 174.77 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -87.81 163.89 16.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -136.4 165.82 24.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.5 t -136.73 122.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.23 111.56 23.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -140.17 141.95 35.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 51.46 39.53 24.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 53.81 41.99 31.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -146.34 130.31 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -78.01 129.01 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt -146.41 157.65 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.446 ' O ' HG23 ' A' ' 61' ' ' THR . 16.5 p -99.91 161.39 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -50.24 -41.84 50.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -53.54 -53.57 49.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.4 m -66.55 -57.45 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 57' ' ' CYS . 66.6 p -40.4 -50.21 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ARG . 86.3 m -47.32 110.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' THR . 8.4 ptp85 -35.6 128.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -164.08 165.95 21.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' SER . 38.9 m-20 60.85 40.59 15.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' ASP . 8.6 m -33.95 145.82 0.14 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.74 . . . . 0.0 110.859 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -179.42 2.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.398 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -141.57 157.35 45.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.6 t -95.76 162.6 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 21.9 tptt -115.21 -27.99 7.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.24 -36.63 93.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.539 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.7 p -124.7 -21.83 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.0 t80 73.74 51.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -123.69 142.84 50.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.51 119.06 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.07 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.438 HG21 ' CG ' ' A' ' 82' ' ' ASN . 94.3 mt -83.19 151.22 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.3 t -106.03 142.0 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.51 -55.05 12.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.01 -36.44 90.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.33 139.87 51.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -77.75 114.16 16.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.438 ' CG ' HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -110.33 156.99 19.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.9 t -121.23 112.2 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -95.69 111.02 23.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.545 ' CE2' ' HG3' ' A' ' 86' ' ' LYS . 21.6 t80 -98.13 -72.02 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.545 ' HG3' ' CE2' ' A' ' 85' ' ' TYR . 20.8 mttm -126.58 64.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.94 -32.22 3.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.44 HG21 ' HD3' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -96.68 126.36 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 111.171 -179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.09 140.45 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 11.2 m95 -127.74 138.85 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 93' ' ' ASP . 24.3 m170 -53.5 127.19 24.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' HIS . 37.0 tptt -36.54 -29.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 91' ' ' HIS . 43.8 m-20 -81.62 -53.99 5.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.5 m -53.34 -32.01 47.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -98.37 113.54 25.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.4 t -123.23 -60.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 130.19 -97.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 178.45 4.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 0.0 112.338 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 100' ' ' SER . 33.0 t -112.26 -48.75 3.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 99' ' ' SER . 1.5 t -35.64 145.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.826 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.485 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -111.02 122.3 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.81 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -104.67 -47.89 3.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.6 113.81 4.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -68.99 -49.43 57.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -70.72 104.27 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.0 -167.48 12.89 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 t -112.72 145.53 40.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.392 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.58 HG11 ' HD3' ' A' ' 27' ' ' ARG . 5.9 m -95.24 -7.45 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -56.16 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 p -104.16 11.98 34.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 46.32 28.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -109.62 154.59 42.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.555 0.693 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 142.55 48.29 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.344 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 21' ' ' GLU . 56.6 mt -105.69 145.32 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.19 171.8 31.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.434 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.52 -49.23 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.74 -33.3 66.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.3 p -74.26 121.8 21.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -66.15 104.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.446 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.0 pt-20 -95.93 168.95 10.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.81 104.36 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -92.42 115.9 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -152.43 128.13 10.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 60.89 44.54 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.1 m120 59.5 34.0 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 2.6 mmp_? -128.61 -178.72 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 26.5 m-85 -160.5 121.87 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.5 m-90 -120.75 144.43 48.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.43 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.2 m80 -64.24 160.86 17.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -7.58 4.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -119.56 -15.82 8.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -86.5 -37.96 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -67.02 105.26 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -159.39 173.89 15.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.8 t -68.0 169.94 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.46 -9.53 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -108.34 -49.91 3.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.6 p -104.52 1.24 29.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp 47.18 46.04 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -102.04 131.75 22.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 121.86 8.55 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.3 15.82 28.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.13 -56.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -107.93 -0.67 21.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.34 167.6 10.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.0 p -79.76 141.3 36.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -132.29 170.16 15.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.6 t -141.54 129.09 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.41 109.23 22.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -138.96 154.11 48.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 45.2 39.4 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 52.45 43.23 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -147.58 150.89 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.3 mm -93.34 123.53 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -137.42 161.03 37.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.2 p -102.08 150.35 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -43.43 -50.31 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.0 -55.55 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.9 m -63.65 -57.88 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.8 p -39.45 -49.11 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.8 p -93.71 78.92 4.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.486 ' CD ' ' HB2' ' A' ' 65' ' ' ASP . 2.5 tmm_? -140.77 139.63 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.91 -36.91 3.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.486 ' HB2' ' CD ' ' A' ' 63' ' ' ARG . 34.4 t70 39.1 51.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.434 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 15.3 m -98.98 103.11 17.7 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.616 0.722 . . . . 0.0 110.846 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 66' ' ' SER . 53.3 Cg_endo -69.78 179.36 3.77 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -130.77 149.11 52.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.501 ' CA ' HD11 ' A' ' 76' ' ' ILE . 10.8 t -88.36 167.75 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 5.2 tmtt? -118.28 -26.27 6.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.3 -34.8 57.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.4 p -124.19 -21.18 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 71.78 51.41 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -126.92 158.11 37.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.87 118.38 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.648 HD13 ' CG2' ' A' ' 89' ' ' VAL . 48.5 mt -90.66 146.37 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.0 t -122.69 140.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.41 -65.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.13 -45.5 20.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -58.88 136.66 57.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.716 0.293 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -63.61 124.29 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.444 ' ND2' ' CG2' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -144.97 154.1 42.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.581 HG11 ' CD2' ' A' ' 95' ' ' PHE . 25.6 t -111.57 106.77 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.563 ' HG3' HG12 ' A' ' 89' ' ' VAL . 35.1 tt0 -88.76 125.98 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -147.87 113.81 5.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.1 mttm 57.58 54.31 6.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.96 -47.15 2.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.5 p -82.17 126.46 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.648 ' CG2' HD13 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -113.65 129.89 68.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.1 m95 -111.82 129.05 56.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 92' ' ' LYS . 23.1 m80 -40.24 142.62 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 91' ' ' HIS . 38.2 tptt -36.69 -36.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.55 -58.99 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 61.7 m -40.79 -46.36 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.581 ' CD2' HG11 ' A' ' 83' ' ' VAL . 9.3 t80 -59.46 158.94 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.1 m -101.32 85.59 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -135.22 74.96 0.42 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.18 18.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 t -136.88 106.41 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 t -160.25 174.48 14.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.498 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 p -112.55 97.88 6.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.366 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -118.89 149.85 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.806 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.48 51.04 3.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 m -71.52 178.33 3.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -142.67 141.36 31.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.23 -177.15 19.53 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 13.3 t -89.08 152.46 21.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -97.0 -8.54 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -93.77 -57.96 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 13' ' ' LYS . 13.9 p -104.69 21.09 17.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' CYS . 21.4 mmt85 30.99 37.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' CYS . 21.3 mttp -105.32 158.36 32.35 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.543 0.687 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 135.72 31.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.464 HG21 ' HB3' ' A' ' 21' ' ' GLU . 71.5 mt -102.89 134.81 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.69 139.54 14.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.29 64.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -58.19 -34.22 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -74.58 127.06 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.94 104.92 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HB3' HG21 ' A' ' 15' ' ' ILE . 5.0 pm0 -101.04 152.48 20.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' A' ' 34' ' ' PHE . 59.3 t -114.42 103.45 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -90.4 116.63 28.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 17.3 t80 -152.47 137.26 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 55.7 mmtt 55.32 45.4 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 57.98 27.22 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.606 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.4 mmt180 -128.55 -179.68 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 7.3 m-85 -154.47 128.56 8.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.606 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.3 m-90 -122.42 139.1 54.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 38.6 m80 -62.56 157.33 20.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -13.58 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.6 t -110.41 -19.75 12.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.4 m -85.03 -44.54 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.499 ' CD2' HG21 ' A' ' 22' ' ' VAL . 23.3 t80 -59.39 99.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -156.87 171.84 19.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.3 t -65.7 164.43 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.5 -8.9 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -106.94 -45.56 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.1 p -104.7 -8.86 18.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.5 mm? 54.92 52.59 11.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.545 ' O ' HD22 ' A' ' 43' ' ' LEU . 68.8 t60 -114.98 139.32 24.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.75 126.2 13.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.545 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.4 mm? -101.54 15.35 29.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.0 -37.21 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -115.99 -5.45 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -116.74 146.18 42.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.2 p -55.28 160.46 2.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -138.21 168.91 18.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.2 t -141.0 133.85 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.79 114.3 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -140.61 132.77 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 55.82 42.08 29.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 53.93 39.72 30.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -142.57 130.83 22.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.7 125.26 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.9 mt -138.26 152.61 48.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 p -102.3 165.5 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.68 -53.02 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -41.52 -44.21 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.7 m -75.85 -64.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.8 p -37.99 -43.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.7 p -81.96 160.14 23.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 59.43 39.67 21.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -132.64 84.91 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.68 76.57 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 m -63.28 154.49 78.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 149.95 67.3 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.33 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 165.78 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.4 t -109.33 161.97 14.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.587 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.7 tptm -113.27 -25.15 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.87 -30.17 59.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.8 p -125.89 -16.39 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 61.78 49.38 4.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -126.66 150.71 48.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.93 116.42 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.56 HG21 ' CG ' ' A' ' 82' ' ' ASN . 38.4 mt -76.94 138.99 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.6 t -73.53 143.74 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.37 -51.88 24.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.09 55.99 3.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.18 139.78 52.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -73.54 93.33 2.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.56 ' CG ' HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -98.69 153.63 18.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 t -116.17 110.17 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.509 ' CG ' HG22 ' A' ' 89' ' ' VAL . 11.6 mt-10 -84.68 130.65 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -151.27 105.56 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.22 25.34 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.28 -36.56 3.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.3 p -83.32 126.15 32.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 111.178 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 84' ' ' GLU . 2.9 t -93.74 141.36 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 5.2 m95 -131.7 134.48 45.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' ASP . 26.8 m80 -53.69 130.32 36.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' HIS . 0.7 OUTLIER -34.45 -31.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 91' ' ' HIS . 26.9 t0 -82.87 -53.84 5.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.2 m -52.06 -43.12 63.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -54.78 150.33 9.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 m -97.73 55.8 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.88 110.23 3.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' SER . 53.5 Cg_endo -69.77 -50.52 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' PRO . 95.2 p 37.73 39.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 m -52.08 120.29 5.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.475 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -81.77 107.21 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -105.17 81.32 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.71 120.79 4.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -100.28 -62.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 m -55.14 102.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.68 -179.27 15.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 17.3 t -95.25 147.93 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.61 HG11 ' HD3' ' A' ' 27' ' ' ARG . 12.9 m -97.27 -9.4 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.13 -56.58 3.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 p -105.34 14.46 28.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 39.94 37.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -110.26 156.65 39.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 142.78 48.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.411 HG12 ' NE2' ' A' ' 30' ' ' HIS . 94.4 mt -111.67 144.12 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.26 -178.59 37.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.29 -43.66 12.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -68.66 -30.01 68.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -68.08 133.17 48.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -66.09 103.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.66 157.3 17.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' A' ' 34' ' ' PHE . 53.9 t -122.22 104.22 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.44 113.63 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -151.3 137.51 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt 54.96 43.09 30.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 59.21 26.97 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.61 ' HD3' HG11 ' A' ' 9' ' ' VAL . 47.0 mtt180 -128.49 177.03 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 16.2 m-85 -149.61 130.43 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.8 m-90 -124.68 140.55 52.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 42.1 m80 -65.7 150.63 48.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -49.85 -20.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 p -102.36 -19.37 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.4 m -87.23 -48.09 8.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.432 ' CD2' HG21 ' A' ' 22' ' ' VAL . 39.6 t80 -55.7 98.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -159.63 166.35 30.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.6 t -59.05 172.6 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.63 -19.93 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -92.36 -53.03 4.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.9 p -99.2 -18.27 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt 67.94 52.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -113.13 132.05 22.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 0.0 110.885 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 116.62 4.65 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.19 27.12 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.89 -60.28 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -92.91 -13.92 28.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -93.82 177.4 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 48' ' ' PHE . 47.6 m -102.78 154.39 19.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.424 ' N ' HG22 ' A' ' 47' ' ' THR . 7.5 p90 -137.26 178.43 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HB ' HG21 ' A' ' 61' ' ' THR . 89.8 t -138.43 123.29 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.35 108.82 17.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -139.87 148.22 41.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 47.65 41.25 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 m120 51.77 38.48 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -147.24 147.5 30.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.9 127.55 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -136.46 150.58 48.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.4 p -91.77 161.5 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -55.27 -43.99 75.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -33.63 66.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 62' ' ' THR . 36.2 m -80.36 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.417 HG21 ' HB ' ' A' ' 49' ' ' VAL . 36.5 p -38.08 -31.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' CYS . 63.3 m -59.84 138.5 57.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -39.4 115.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -133.03 161.45 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -85.81 39.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -64.72 158.88 66.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.689 0.757 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 160.99 47.64 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.11 158.93 36.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.1 t -101.77 165.2 11.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.634 ' HB2' HG21 ' A' ' 88' ' ' THR . 26.2 tptt -113.91 -23.02 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.18 -40.56 28.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.537 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.8 p -121.98 -13.77 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 62.3 52.34 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -123.23 153.06 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.72 106.03 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.0 mt -68.6 142.37 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 78' ' ' ALA . 63.8 t -102.66 152.41 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -60.58 -66.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.58 -41.99 34.74 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -56.21 157.22 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.803 0.335 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -90.0 128.77 36.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.565 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 1.2 p30 -131.2 176.17 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.514 ' C ' HG23 ' A' ' 89' ' ' VAL . 19.9 t -139.82 112.25 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 4.8 tt0 -102.45 134.92 44.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -123.61 -80.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -120.15 91.32 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.24 -47.74 1.7 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.634 HG21 ' HB2' ' A' ' 70' ' ' LYS . 3.4 m -96.8 155.93 16.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.565 ' CG2' ' HB2' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -133.58 126.17 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.514 ' CH2' ' HG2' ' A' ' 70' ' ' LYS . 2.5 m95 -100.39 145.95 27.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -53.95 149.23 9.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -46.83 -30.25 2.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -85.81 -50.45 7.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 87.8 m -51.47 -44.11 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -75.83 78.86 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -51.91 -59.64 4.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.82 -113.01 5.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -35.45 12.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.5 p -71.36 175.07 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.83 160.1 40.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.496 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 p -41.73 -45.64 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 m -115.84 169.79 8.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.5 58.62 0.4 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -100.67 44.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -158.39 175.64 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.76 154.29 10.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -94.11 143.25 26.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.942 0.401 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 m -95.13 -5.72 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.32 -55.65 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 p -98.18 1.64 47.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? 51.72 26.4 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -108.11 157.55 35.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.43 48.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.497 HG21 ' HB3' ' A' ' 21' ' ' GLU . 61.4 mt -108.53 147.37 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.61 142.96 16.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.3 -48.92 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.094 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.04 -33.69 75.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 m -64.72 131.4 46.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -63.9 103.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.497 ' HB3' HG21 ' A' ' 15' ' ' ILE . 5.0 pt-20 -111.05 157.87 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 t -117.33 104.12 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -91.11 117.69 29.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -152.19 121.26 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.95 49.46 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 56.65 31.22 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.639 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 32.9 mtt85 -126.64 -178.78 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.1 m-85 -161.43 126.91 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.8 m-90 -125.52 140.18 52.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' NE2' HG12 ' A' ' 15' ' ' ILE . 14.1 m80 -64.25 156.35 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -55.99 -13.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -111.78 -17.62 12.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.6 m -86.41 -40.22 15.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -65.75 105.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HD3' ' C ' ' A' ' 40' ' ' LEU . 5.2 ptp85 -163.12 171.23 16.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.33 167.08 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.26 -15.14 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -100.75 -48.4 4.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.11 -9.17 21.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.703 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.0 OUTLIER 53.32 54.4 10.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.723 ' O ' HD22 ' A' ' 43' ' ' LEU . 12.3 t-80 -114.74 142.07 27.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.75 113.14 3.27 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.9 mm? -90.24 20.68 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.29 -62.07 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -81.83 -19.03 41.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -102.41 176.68 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 43' ' ' LEU . 20.7 m -82.36 155.57 24.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' N ' HG22 ' A' ' 47' ' ' THR . 43.5 p90 -130.54 158.99 38.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' ' HD3' ' A' ' 51' ' ' LYS . 77.7 t -134.43 140.92 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.56 111.82 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.45 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 6.1 mptt -141.02 135.22 30.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.63 34.43 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.1 m120 60.24 41.1 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -146.01 133.33 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.9 mm -82.96 133.27 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.0 mt -146.39 167.5 23.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.6 p -110.65 158.3 18.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -52.51 -45.62 66.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.517 ' O ' HG22 ' A' ' 62' ' ' THR . 27.2 tttm -50.03 -36.88 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.5 m -86.37 -63.17 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.3 p -40.08 -43.48 1.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 59' ' ' LYS . 14.8 t -54.3 154.98 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -59.19 118.56 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -154.72 156.93 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' SER . 5.3 t70 73.77 44.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' ASP . 21.2 p -37.48 139.91 0.52 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.7 0.762 . . . . 0.0 110.855 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.0 15.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.41 157.62 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.4 t -97.05 164.45 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.9 tptm -111.28 -21.45 11.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.49 -34.82 34.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 7.8 p -122.07 -24.97 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 t80 74.22 49.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -121.85 164.3 17.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.89 105.19 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 91' ' ' HIS . 61.6 mt -70.78 137.51 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 78' ' ' ALA . 91.6 t -109.25 152.52 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -49.56 -60.41 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.99 -37.71 86.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.1 111.7 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.743 0.306 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.488 ' HB3' ' CG ' ' A' ' 92' ' ' LYS . 10.5 mm100 -39.79 147.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.23 156.97 38.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 22.0 t -127.41 108.15 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 3.4 tt0 -98.12 128.13 44.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 86' ' ' LYS . 3.1 t80 -114.24 -77.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 85' ' ' TYR . 34.6 mttm -134.59 84.74 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.1 -39.79 2.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.3 p -105.48 126.79 52.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 111.115 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -110.2 123.23 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.562 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.8 m95 -104.89 140.36 38.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.439 ' NE2' HG12 ' A' ' 76' ' ' ILE . 27.6 m80 -49.73 158.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.488 ' CG ' ' HB3' ' A' ' 81' ' ' GLN . 8.1 mmmt -59.95 -24.7 64.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.74 -35.2 16.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.9 m -72.42 -30.45 64.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.56 84.87 3.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.6 t -122.94 44.5 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 54.67 -173.21 0.83 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 140.8 43.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.394 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.9 p -171.77 144.91 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.2 t -93.27 164.46 13.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.514 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -78.39 92.31 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 t -96.21 99.41 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.57 157.74 22.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 p -101.45 166.0 10.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -130.18 46.43 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.52 -173.63 49.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 33.1 t -88.7 147.4 24.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.28 -22.81 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -73.13 -55.2 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.4 p -97.9 -2.57 40.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 53.85 31.08 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -107.85 156.87 37.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.572 0.701 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.46 45.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.432 HG21 ' HB3' ' A' ' 21' ' ' GLU . 85.6 mt -108.79 142.02 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.81 164.48 18.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -48.65 68.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -58.56 -36.43 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -69.26 129.86 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -68.02 105.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.2 pm0 -103.9 152.83 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.69 103.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 11.8 t-80 -88.85 117.24 27.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -152.98 126.0 8.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? 62.77 43.55 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 59.88 31.82 20.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 29' ' ' TRP . 43.9 mtt85 -130.24 -178.22 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -156.49 128.48 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.588 ' CZ2' ' HD3' ' A' ' 27' ' ' ARG . 31.2 m-90 -126.52 140.74 52.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.8 m170 -65.66 157.07 30.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -22.64 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.0 p -101.91 -15.87 16.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.66 -48.83 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -58.48 97.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HB2' ' C ' ' A' ' 41' ' ' HIS . 10.8 ptp85 -154.14 176.18 12.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 t -70.8 168.51 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.91 -13.81 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -99.98 -49.41 4.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.3 p -100.8 -11.99 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.4 mm? 60.6 49.41 6.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.615 ' O ' HD22 ' A' ' 43' ' ' LEU . 24.8 t-80 -110.6 132.93 21.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.732 . . . . 0.0 110.828 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 111.87 2.91 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.691 2.261 . . . . 0.0 112.404 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.3 mm? -86.52 25.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.09 80.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -111.08 3.6 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -114.64 170.86 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 p -75.91 158.09 32.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -148.43 162.12 40.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.496 ' HB ' HG21 ' A' ' 61' ' ' THR . 98.7 t -139.97 137.25 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.33 108.62 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HE3' HG11 ' A' ' 49' ' ' VAL . 69.6 mttt -141.46 137.44 32.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 61.81 41.97 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 49.03 36.64 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -142.47 139.96 31.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -83.7 133.24 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.6 mt -144.2 164.57 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.652 ' O ' HG23 ' A' ' 61' ' ' THR . 16.2 p -106.91 170.17 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -63.68 -44.71 92.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.598 ' O ' HG22 ' A' ' 62' ' ' THR . 25.4 tptt -51.05 -37.53 46.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' THR . 60.7 m -84.08 -62.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 57' ' ' CYS . 70.5 p -37.76 -48.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 59' ' ' LYS . 14.1 t -45.4 137.85 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -41.73 126.35 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' OE2' HG23 ' A' ' 62' ' ' THR . 62.4 mm-40 -119.63 -48.15 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' SER . 6.5 p-10 -57.83 87.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' ASP . 4.1 m -37.5 157.27 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.7 0.762 . . . . 0.0 110.842 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -175.87 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.74 154.97 35.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 91' ' ' HIS . 47.5 t -92.8 163.22 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.68 ' HB2' HG21 ' A' ' 88' ' ' THR . 0.5 OUTLIER -111.44 -30.35 7.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.91 -48.4 81.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.28 -13.95 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 40.3 m-85 63.73 50.8 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -123.65 143.31 50.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.8 123.76 14.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.472 HD11 ' O ' ' A' ' 89' ' ' VAL . 94.7 mt -81.61 149.33 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.7 t -103.63 144.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.4 -56.2 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.45 92.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.53 141.62 58.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.431 ' C ' ' OD1' ' A' ' 82' ' ' ASN . 8.1 mm100 -71.01 138.75 50.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -136.25 151.12 49.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 17.1 t -122.07 108.59 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.578 ' HB2' HG13 ' A' ' 89' ' ' VAL . 25.6 tt0 -86.86 118.72 26.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.89 62.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt 66.42 37.08 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.63 -77.18 0.23 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.68 HG21 ' HB2' ' A' ' 70' ' ' LYS . 2.8 m -80.18 148.76 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.578 HG13 ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -113.41 113.44 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.631 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 15.0 m95 -93.79 134.9 35.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 93' ' ' ASP . 39.4 m80 -51.48 127.56 20.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' HIS . 39.6 tptt -34.74 -31.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 91' ' ' HIS . 17.1 m-20 -78.75 -59.93 2.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 66.3 m -48.78 -33.24 9.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -78.04 83.93 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.7 t -87.59 76.82 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.66 -117.96 4.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.12 5.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 94.4 p -140.83 160.5 39.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.4 m -118.71 -47.33 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.502 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -162.57 129.37 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -71.32 83.98 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 137.43 49.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 p -38.36 -47.25 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 110.89 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 p -126.37 120.81 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.2 173.47 16.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 14.6 t -89.32 151.76 21.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.523 HG13 ' NE1' ' A' ' 29' ' ' TRP . 1.0 OUTLIER -96.94 -13.64 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -93.93 -57.16 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' ARG . 26.2 p -97.08 14.86 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 31.5 42.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 22.3 mmtt -116.73 158.03 44.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD2' ' HD3' ' A' ' 13' ' ' LYS . 54.2 Cg_endo -69.74 135.45 30.53 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.381 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.44 HG12 ' NE2' ' A' ' 30' ' ' HIS . 52.6 mt -104.12 153.32 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' N ' HG22 ' A' ' 15' ' ' ILE . . . -108.93 146.46 16.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.49 -49.34 67.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -55.97 -33.4 64.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -73.3 143.25 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -73.67 104.54 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 2.3 pm0 -102.95 147.87 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.6 104.02 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.75 114.42 25.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -152.79 140.82 20.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 53.42 42.47 31.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' O ' ' CZ ' ' A' ' 27' ' ' ARG . 2.2 m120 59.65 27.4 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.599 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.5 mmp_? -128.59 -178.92 4.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.5 m-85 -154.01 124.31 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.599 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.9 m-90 -119.37 139.62 51.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' NE2' HG12 ' A' ' 15' ' ' ILE . 9.7 m80 -60.81 161.77 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' OD1' HG23 ' A' ' 32' ' ' THR . 1.4 p-10 -60.78 -12.71 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.426 HG23 ' OD1' ' A' ' 31' ' ' ASP . 75.1 p -113.95 -16.8 12.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.17 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.2 m -85.66 -38.41 18.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.26 100.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -157.99 174.59 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.83 169.21 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.72 -14.22 13.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -98.13 -50.99 4.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.0 -15.58 17.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mt 65.26 54.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -119.22 134.3 23.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.823 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 127.7 14.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.287 . . . . 0.0 112.306 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.517 ' N ' HD22 ' A' ' 43' ' ' LEU . 1.5 mm? -99.37 18.49 17.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.15 -62.25 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -89.19 -15.11 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -98.48 -179.1 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.7 m -92.72 151.2 20.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -134.47 161.98 33.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.4 t -133.76 134.01 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.63 111.22 23.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -139.23 148.28 42.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 44.51 42.03 5.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t30 52.18 42.24 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -144.58 145.0 31.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -92.17 126.79 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -141.5 160.2 40.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.3 p -104.29 156.45 17.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -47.69 -56.48 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -40.86 -41.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 62' ' ' THR . 68.4 m -78.66 -62.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.6 p -42.36 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' CYS . 63.8 m -87.23 114.63 24.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -151.65 166.25 31.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.49 154.98 41.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.23 68.77 2.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -85.21 159.64 56.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.705 0.764 . . . . 0.0 110.813 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 152.63 69.15 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.363 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -138.21 130.26 28.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.465 ' HA ' HD11 ' A' ' 76' ' ' ILE . 36.7 t -64.32 164.0 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.603 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 6.0 tmtm? -111.26 -28.31 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.5 -42.78 47.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -110.57 -23.95 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 71.83 43.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -116.28 152.56 33.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.82 117.07 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.568 HD13 ' CG2' ' A' ' 89' ' ' VAL . 81.1 mt -84.0 156.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.487 ' N ' HG22 ' A' ' 76' ' ' ILE . 59.1 t -124.57 144.89 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.98 66.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.7 -40.62 99.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.56 172.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.41 93.0 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.501 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -104.68 160.49 14.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 25.0 t -119.14 106.41 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.662 ' HG3' HG12 ' A' ' 89' ' ' VAL . 58.3 tt0 -88.92 134.05 34.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -128.11 -74.87 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -125.62 87.22 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.01 -46.54 2.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -101.78 151.74 21.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.662 HG12 ' HG3' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -122.03 126.3 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.603 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.7 m95 -100.91 132.06 46.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 90' ' ' TRP . 22.2 m170 -39.99 161.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -72.26 3.4 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -119.27 -33.29 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.46 -42.39 74.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -62.57 112.34 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.8 m -126.41 83.4 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.9 -152.85 9.1 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.46 68.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.271 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 m -98.38 158.29 15.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -114.86 174.49 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.491 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -88.35 -47.26 8.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -63.78 160.44 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.93 -82.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -43.57 112.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -58.68 134.81 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.31 -178.01 18.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 t -102.66 146.32 28.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG21 ' HD3' ' A' ' 27' ' ' ARG . 19.9 m -96.07 -6.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -56.68 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 8.2 p -105.49 13.69 29.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.34 34.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 41.6 mmtt -112.32 154.82 44.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.48 47.91 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.238 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.507 HG21 ' HB3' ' A' ' 21' ' ' GLU . 63.0 mt -106.46 144.31 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.52 145.5 18.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.52 80.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.42 -36.64 84.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -66.14 118.73 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -61.02 105.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.2 pt-20 -101.15 167.69 10.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.54 104.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.43 114.4 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.478 ' CE2' ' CE2' ' A' ' 48' ' ' PHE . 4.6 t80 -151.92 144.89 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 49.9 42.85 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 59.08 29.02 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.587 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 43.6 mtt85 -129.81 178.86 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -151.36 127.99 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.6 m-90 -124.68 141.0 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.417 ' NE2' HG12 ' A' ' 15' ' ' ILE . 23.0 m80 -63.85 159.77 18.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -59.89 -16.61 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.432 ' O ' ' NH2' ' A' ' 35' ' ' ARG . 28.6 p -108.44 -12.98 14.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.8 m -89.4 -50.42 6.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -56.34 101.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.523 ' HD2' HD12 ' A' ' 40' ' ' LEU . 5.9 ptp85 -160.19 159.52 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' O ' HD13 ' A' ' 40' ' ' LEU . 6.3 t -54.36 169.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.15 -16.61 13.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -96.71 -50.7 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -100.44 -11.92 19.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD12 ' HD2' ' A' ' 35' ' ' ARG . 3.8 mm? 57.55 53.57 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.703 ' O ' HD22 ' A' ' 43' ' ' LEU . 13.8 t-80 -111.46 142.98 27.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 54.0 Cg_endo -69.74 111.5 2.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.4 mm? -89.42 24.0 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.38 94.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -111.66 4.39 18.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -116.16 159.52 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -74.24 152.36 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CE2' ' CE2' ' A' ' 24' ' ' TYR . 38.4 p90 -141.8 169.1 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.6 t -140.55 134.99 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.79 108.77 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -141.38 141.43 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 54.37 40.26 31.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 51.86 35.75 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -140.5 140.97 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.09 128.34 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.3 mt -139.35 158.96 43.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.414 ' O ' HG23 ' A' ' 61' ' ' THR . 18.3 p -100.56 157.19 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -50.47 -47.04 57.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -48.26 -49.25 34.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.1 m -70.79 -60.61 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 57' ' ' CYS . 64.5 p -37.71 -39.94 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.8 m -50.23 139.53 14.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -52.15 121.31 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -122.99 168.66 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.68 69.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 m -134.08 156.23 79.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.635 0.731 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 175.46 8.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -134.42 162.89 30.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.0 t -105.34 165.2 11.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.3 tmtt? -114.65 -29.86 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -35.89 90.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.6 p -122.94 -26.03 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.1 t80 75.07 45.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -124.14 154.46 40.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.19 118.66 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.418 HD13 HG22 ' A' ' 89' ' ' VAL . 63.4 mt -84.59 145.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.9 t -103.47 145.42 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.2 -49.76 72.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.61 44.95 3.02 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 82' ' ' ASN . 29.3 m-20 -143.18 132.36 23.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -51.27 116.48 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 3.0 m-20 -136.86 160.83 37.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 19.9 t -121.1 108.76 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 2.9 tt0 -94.18 123.06 37.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 86' ' ' LYS . 32.7 t80 -144.97 131.34 19.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 19.6 tttm 48.14 43.38 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.4 -47.74 3.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.6 p -78.56 127.84 32.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 0.0 111.165 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -110.83 119.64 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.7 m95 -100.46 136.68 39.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.416 ' NE2' HG12 ' A' ' 76' ' ' ILE . 28.8 m80 -48.06 140.71 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -43.04 -31.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.22 -46.33 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 97.2 m -58.36 -42.07 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.1 78.49 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 m -92.59 46.16 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 97.96 -125.04 8.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 140.3 42.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.311 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.7 p -142.68 171.31 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 t -141.06 135.45 31.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.483 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -78.17 108.81 11.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -92.5 -51.94 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.01 45.31 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -134.56 41.66 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.381 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -87.38 131.13 34.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.22 171.93 40.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 36.7 t -89.33 144.33 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.793 HG11 ' HD2' ' A' ' 27' ' ' ARG . 21.3 m -97.64 -19.77 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -79.68 -52.79 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.72 -10.49 29.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 21.1 mmt85 61.27 29.69 18.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -109.58 154.21 42.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.11 44.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.68 HG21 ' HB3' ' A' ' 21' ' ' GLU . 59.1 mt -108.19 137.23 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.43 159.05 23.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.83 90.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -57.48 -37.08 72.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.5 m -70.4 138.82 51.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -78.05 102.79 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.68 ' HB3' HG21 ' A' ' 15' ' ' ILE . 18.6 pt-20 -99.88 150.61 22.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.7 t -107.49 105.71 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -88.71 114.88 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.402 ' CE2' ' HE2' ' A' ' 48' ' ' PHE . 4.1 t80 -152.67 134.51 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt 55.69 44.15 26.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 58.32 33.04 22.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.793 ' HD2' HG11 ' A' ' 9' ' ' VAL . 34.7 mmt180 -131.87 -179.58 5.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 14.9 m-85 -154.48 124.9 6.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.3 m-90 -123.07 144.26 49.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' NE2' HG12 ' A' ' 15' ' ' ILE . 11.9 m170 -64.98 160.1 21.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.45 -2.79 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.3 p -121.25 -15.98 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -87.3 -49.03 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -55.74 107.77 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.559 ' HD2' HD12 ' A' ' 40' ' ' LEU . 13.7 ptp180 -155.72 173.9 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -70.26 169.26 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.38 -15.55 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -97.56 -49.63 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.5 p -103.51 -10.88 18.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.559 HD12 ' HD2' ' A' ' 35' ' ' ARG . 3.6 mm? 59.46 53.8 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.5 ' O ' HD22 ' A' ' 43' ' ' LEU . 86.1 t60 -115.9 132.92 22.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.575 0.703 . . . . 0.0 110.854 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.7 Cg_endo -69.8 117.95 5.39 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.5 mm? -95.24 26.42 3.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.15 -44.33 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -102.31 -14.28 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -106.26 177.95 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 p -83.91 164.08 19.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.402 ' HE2' ' CE2' ' A' ' 24' ' ' TYR . 51.5 p90 -152.22 173.3 15.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.7 t -143.52 138.49 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.62 111.23 22.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -141.08 144.7 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t0 53.67 43.24 31.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 49.9 34.94 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -137.97 139.12 39.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.4 mm -86.54 129.34 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -143.47 167.04 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.6 p -106.84 161.9 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -55.06 -57.29 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -43.38 -37.3 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 30.7 m -76.19 -74.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.6 p -38.65 -43.78 0.92 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.2 m -96.2 118.37 32.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -161.21 155.03 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -127.81 37.83 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.13 90.01 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.5 m -129.58 130.56 23.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 174.82 8.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.369 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 89' ' ' VAL . 22.2 mtpp -137.7 155.03 49.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 53.0 t -96.7 163.17 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 6.6 tptp -113.74 -29.21 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.21 -38.11 91.65 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 32.1 p -121.63 -11.92 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 69' ' ' CYS . 48.6 m-85 62.92 48.5 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -118.16 149.8 40.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.92 108.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.5 mt -72.27 133.36 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.83 144.3 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.82 -52.94 21.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.14 92.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.82 156.02 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -100.9 106.54 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.8 165.16 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 41.0 t -123.94 107.44 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.476 ' HB2' HG13 ' A' ' 89' ' ' VAL . 20.2 tt0 -80.31 106.37 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 84.9 t80 -108.67 96.9 6.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 19.6 mtpp 66.32 25.01 10.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.86 -53.79 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 p -74.88 125.76 29.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -94.22 142.22 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 8.7 m95 -130.3 130.41 44.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 92' ' ' LYS . 24.0 m80 -47.48 123.79 6.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 91' ' ' HIS . 16.8 tptp -32.89 -36.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 91' ' ' HIS . 7.4 m-20 -74.31 -51.86 13.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' HIS . 87.8 m -53.91 -39.62 65.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -83.28 95.5 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.8 m -112.87 -45.73 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 122.22 124.8 3.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -7.38 20.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -163.97 144.59 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.4 t -98.47 -50.26 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.436 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -84.32 48.74 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -73.12 136.09 44.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.808 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.88 -60.92 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 p -47.94 159.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -68.43 108.25 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.66 176.46 18.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 28' ' ' PHE . 9.1 t -82.56 146.77 29.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -96.38 -3.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.0 -56.65 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 8.5 p -100.22 6.2 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 9.7 mmt180 47.74 26.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.814 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 10.5 mmtp -102.44 157.52 33.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 137.0 34.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 21' ' ' GLU . 75.0 mt -101.79 143.07 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.37 159.1 22.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -48.01 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -58.83 -34.96 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -70.03 130.7 42.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -77.11 103.78 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.504 ' HB3' HG21 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -98.74 167.02 11.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.428 HG11 ' CE2' ' A' ' 34' ' ' PHE . 47.7 t -123.71 106.74 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -91.29 117.77 29.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 61.4 t80 -151.26 121.58 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 25.1 mmmt 65.23 53.79 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 52.72 31.33 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.594 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 13.4 mmp_? -129.2 -178.58 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 18.5 m-85 -160.29 126.09 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 28.4 m-90 -122.58 141.79 51.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.9 m80 -63.4 163.66 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.07 -11.5 30.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.9 p -114.5 -13.83 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.2 m -90.1 -43.23 10.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CE2' HG11 ' A' ' 22' ' ' VAL . 21.8 t80 -61.75 98.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -157.28 177.4 11.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.6 t -72.12 163.99 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.58 -6.23 16.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.047 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -107.29 -43.71 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.93 -3.18 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.658 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.4 mm? 51.77 54.78 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -117.85 133.63 23.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.708 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 126.76 13.73 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.11 33.01 4.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.42 -47.01 82.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -113.46 -0.34 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -104.18 173.55 6.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -81.46 148.32 29.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -139.76 155.47 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.5 t -130.68 141.34 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.33 109.28 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -139.97 134.25 31.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 60.09 43.33 14.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 m120 49.34 35.26 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -140.47 128.99 22.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.5 mm -77.21 134.48 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -146.38 158.75 43.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.684 ' O ' HG23 ' A' ' 61' ' ' THR . 12.4 p -104.66 169.41 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -55.48 -55.53 30.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -38.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.4 m -82.32 -60.3 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 57' ' ' CYS . 53.1 p -38.94 -35.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' THR . 77.5 m -37.28 -50.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -117.83 170.67 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.66 171.76 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.65 30.25 5.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -85.37 161.53 51.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.64 0.733 . . . . 0.0 110.89 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 172.26 12.99 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -129.2 165.85 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.0 t -106.93 167.33 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 15.9 tptm -115.95 -25.25 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.19 -42.66 35.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.2 p -120.03 -6.09 10.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.898 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 54.31 54.24 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -127.57 148.92 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.6 111.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.0 mt -73.19 133.04 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.2 t -87.02 138.17 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.91 -40.23 56.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.28 50.9 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -141.94 137.93 31.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.74 0.305 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -65.8 113.56 4.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.5 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -124.15 178.22 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.781 HG11 ' CD1' ' A' ' 95' ' ' PHE . 38.4 t -138.57 105.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 5.0 tt0 -94.43 128.3 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 12.7 t80 -117.11 68.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt 56.59 54.9 6.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.93 -82.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.2 p -78.07 125.59 29.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 111.199 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -114.22 134.51 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.5 m95 -116.79 145.87 43.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -52.52 142.15 18.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -39.63 -33.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -82.15 -46.44 13.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 93.6 m -57.52 -41.03 80.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.781 ' CD1' HG11 ' A' ' 83' ' ' VAL . 6.0 t80 -80.52 136.78 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.9 t -155.11 120.35 4.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.24 -112.88 1.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.81 9.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 m -77.54 150.6 34.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.8 t -85.6 163.83 18.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.503 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -96.79 -58.26 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -112.42 102.72 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.84 -173.42 34.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -119.63 96.98 5.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.388 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -93.27 88.26 5.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.05 174.36 17.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 t -87.27 143.38 27.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.724 HG11 ' HD2' ' A' ' 27' ' ' ARG . 10.6 m -95.12 -15.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -82.2 -56.48 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -97.48 6.08 48.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 45.11 33.92 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -112.04 155.26 43.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 140.7 43.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG12 ' NE2' ' A' ' 30' ' ' HIS . 51.4 mt -104.83 138.37 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.31 -173.35 21.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.93 -43.39 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -89.89 22.64 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 m -104.53 131.95 51.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -63.55 104.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.27 165.6 12.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.436 HG21 ' CD2' ' A' ' 34' ' ' PHE . 52.2 t -125.02 105.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -91.87 117.76 30.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 35.8 t80 -152.43 133.77 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 15.1 mmmt 53.99 44.43 29.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.04 34.8 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.724 ' HD2' HG11 ' A' ' 9' ' ' VAL . 26.2 mmt85 -129.38 -179.11 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 16.0 m-85 -159.3 125.82 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.2 m-90 -125.4 139.64 53.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.3 m80 -63.99 151.95 41.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -15.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -109.2 -15.94 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.2 m -89.59 -43.71 10.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CD2' HG21 ' A' ' 22' ' ' VAL . 27.3 t80 -58.72 97.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.675 ' HE ' HD12 ' A' ' 40' ' ' LEU . 10.8 ptt-85 -156.9 164.93 37.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.14 165.62 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.06 -5.61 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -108.36 -48.45 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.79 -11.39 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.675 HD12 ' HE ' ' A' ' 35' ' ' ARG . 3.3 mm? 59.76 46.54 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.538 ' O ' HD22 ' A' ' 43' ' ' LEU . 23.2 t-80 -107.7 140.19 21.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.82 124.57 11.18 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.617 2.211 . . . . 0.0 112.346 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.7 mm? -97.37 16.94 18.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.25 75.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -115.98 -1.42 12.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 47' ' ' THR . 8.7 tp10 -120.15 146.61 45.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 3.0 m -58.8 147.33 33.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 24' ' ' TYR . 44.3 p90 -128.24 163.58 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.682 HG11 ' HE2' ' A' ' 51' ' ' LYS . 97.7 t -133.1 133.33 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.77 108.74 20.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.682 ' HE2' HG11 ' A' ' 49' ' ' VAL . 42.9 mtmt -141.37 143.34 33.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 51.07 44.34 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 48.58 35.69 6.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -140.79 141.24 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.6 mm -86.7 132.08 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -147.75 158.69 44.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.6 p -102.04 150.71 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -48.46 -47.15 38.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -47.77 -36.04 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.33 -55.29 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.4 p -42.07 -31.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -82.47 -47.73 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -55.83 123.19 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -95.35 35.52 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -103.93 76.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 p -174.83 155.09 1.89 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 170.25 17.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -130.17 162.35 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.4 t -103.06 165.21 11.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.701 ' HB2' HG21 ' A' ' 88' ' ' THR . 10.2 tptm -112.16 -24.25 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.79 -37.71 33.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.2 p -119.86 -23.93 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.9 t80 71.55 47.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -125.22 153.02 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.14 120.33 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.1 mt -86.49 140.43 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 79' ' ' GLY . 22.2 t -97.67 142.14 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.74 84.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.424 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -85.66 40.94 3.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.4 137.48 30.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.72 0.295 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.19 126.83 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 2.5 p30 -142.85 170.39 15.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' TRP . 15.0 t -141.25 116.3 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.4 tt0 -107.33 137.4 45.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -128.41 -80.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -111.95 85.47 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.92 -49.02 1.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.701 HG21 ' HB2' ' A' ' 70' ' ' LYS . 3.8 m -90.18 153.54 20.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.337 . . . . 0.0 111.133 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -129.47 122.71 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.7 m95 -94.8 150.58 20.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 94' ' ' CYS . 27.0 m80 -64.54 139.65 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' HIS . 29.7 tptt -38.11 -31.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' HIS . 4.2 m-20 -84.14 -44.62 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 91' ' ' HIS . 83.7 m -59.47 -39.87 85.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -80.2 113.6 18.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.1 t -148.32 117.14 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.634 ' N ' ' HD2' ' A' ' 98' ' ' PRO . . . -66.31 -50.55 49.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.495 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 97' ' ' GLY . 53.7 Cg_endo -69.73 8.29 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 100' ' ' SER . 4.8 t -99.63 165.48 11.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 99' ' ' SER . 56.0 m -35.13 141.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.494 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' GLY . 88.9 p 37.69 42.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.842 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -44.33 111.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.66 79.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.7 m -71.54 145.48 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' SER . 37.1 m -36.93 -53.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.05 127.77 3.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.8 t -93.81 142.1 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.418 HG21 ' NE ' ' A' ' 27' ' ' ARG . 5.4 m -94.26 -1.2 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -98.81 -56.28 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 p -97.71 5.61 49.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 47.83 27.03 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -109.06 154.65 41.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 139.7 40.69 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.516 HG21 ' HB3' ' A' ' 21' ' ' GLU . 60.4 mt -99.12 137.89 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.63 152.72 44.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.51 -21.74 61.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.333 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.64 12.85 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 m -92.82 136.47 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 102.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HB3' HG21 ' A' ' 15' ' ' ILE . 2.8 pp20? -112.73 164.97 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.7 t -119.93 104.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -92.4 118.18 30.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -152.24 125.3 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? 60.57 44.64 11.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 60.98 36.19 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.566 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.0 mmm180 -129.01 -178.48 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 16.2 m-85 -161.57 121.05 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 29.9 m-90 -122.99 140.0 53.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 15' ' ' ILE . 22.5 m80 -66.28 153.25 43.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -15.24 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 t -108.21 -17.46 14.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.6 m -88.6 -43.8 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.73 106.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.2 ptt85 -163.46 175.98 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 t -66.69 167.42 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.01 -11.73 15.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 6.7 ttmt -105.91 -52.13 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.5 p -102.22 3.99 38.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mp 43.49 49.39 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -104.9 128.97 25.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.579 0.704 . . . . 0.0 110.845 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.528 ' C ' HD13 ' A' ' 43' ' ' LEU . 53.6 Cg_endo -69.76 126.78 13.72 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -111.27 27.27 9.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.74 -38.07 66.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -112.52 -2.91 14.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -109.68 176.64 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -87.67 148.97 24.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -135.08 160.24 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.4 t -128.02 128.79 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.33 109.4 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -138.19 138.82 38.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 53.84 42.57 31.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.3 m120 51.24 37.89 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -141.33 129.92 22.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -79.71 125.19 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -138.2 156.56 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.97 165.77 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -57.44 -35.98 70.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -57.98 -47.7 82.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 38' ' ' LYS . 88.9 m -70.91 -57.44 4.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.4 p -37.81 -48.55 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.2 p -79.87 104.87 10.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -88.5 85.44 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -132.49 40.52 3.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.16 81.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.6 m -42.1 140.9 1.47 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.813 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 168.34 21.82 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.267 . . . . 0.0 112.318 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -130.69 160.7 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.2 t -99.94 163.76 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.6 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 5.6 tmtt? -118.82 -21.42 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.88 -35.58 49.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.0 p -127.71 -13.79 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.368 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 64.67 54.87 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -129.49 151.32 50.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.19 122.75 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.528 HD13 HG22 ' A' ' 89' ' ' VAL . 58.0 mt -89.87 141.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG12 ' H ' ' A' ' 79' ' ' GLY . 26.3 t -104.53 146.46 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.41 83.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.569 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -84.22 35.92 2.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 6.4 m-20 -144.18 130.1 19.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 81' ' ' GLN . 2.4 mp0 -51.16 127.52 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 80' ' ' ASP . 6.3 m-20 -141.07 161.79 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.086 HG11 ' CD2' ' A' ' 95' ' ' PHE . 20.7 t -121.77 107.94 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 18.4 tt0 -93.07 123.97 36.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -145.0 127.92 16.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt 50.99 40.39 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.73 -48.72 3.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.3 p -77.85 129.98 36.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.528 HG22 HD13 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -111.88 124.34 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.8 m95 -104.51 141.78 35.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 94' ' ' CYS . 30.2 m80 -53.24 134.53 39.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 91' ' ' HIS . 30.2 tptt -33.89 -33.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' HIS . 3.6 p30 -83.3 -45.28 13.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 91' ' ' HIS . 85.2 m -61.13 -34.39 74.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.086 ' CD2' HG11 ' A' ' 83' ' ' VAL . 14.2 t80 -78.99 122.26 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.3 p -76.84 -62.35 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.92 145.24 7.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 108.0 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.1 t -99.24 95.83 7.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.8 m -124.08 112.68 17.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.514 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 p -90.8 88.43 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -97.62 97.31 8.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.47 116.93 0.62 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 t -101.1 -42.72 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -109.69 92.32 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.27 -171.6 32.28 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.432 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 15.2 t -108.31 144.45 35.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.605 ' CG2' ' NE1' ' A' ' 29' ' ' TRP . 20.5 m -95.12 -2.72 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -55.61 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 p -107.06 12.74 28.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 1.6 mpt_? 45.26 35.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -113.12 155.5 44.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.686 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.15 44.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 21' ' ' GLU . 66.2 mt -104.38 126.56 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.22 175.42 52.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.09 -43.66 19.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -33.54 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 p -68.16 140.3 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 103.61 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.551 ' HB3' HG21 ' A' ' 15' ' ' ILE . 4.8 pt-20 -98.47 161.69 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.75 106.43 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 1.6 t60 -91.06 121.37 32.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -152.81 130.49 11.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.39 46.29 23.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 59.47 36.34 23.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.588 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 14.3 mmm-85 -131.91 -177.86 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 13.5 m-85 -159.09 126.25 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.605 ' NE1' ' CG2' ' A' ' 9' ' ' VAL . 32.8 m-90 -125.48 144.49 50.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.8 m80 -68.2 161.47 27.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -62.56 -16.34 55.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.7 p -114.96 10.45 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.169 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 55.8 m -114.0 -35.55 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -72.02 104.82 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 2.5 ptp180 -155.73 175.74 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.8 t -69.02 164.49 22.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.71 -9.64 16.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -105.41 -48.3 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.1 p -102.74 -11.13 18.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.548 ' N ' HD22 ' A' ' 40' ' ' LEU . 2.6 mm? 59.25 53.29 5.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.513 ' O ' HD22 ' A' ' 43' ' ' LEU . 57.2 t-80 -118.56 137.23 24.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 126.17 13.0 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.387 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.513 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.9 mm? -104.01 27.95 7.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -59.03 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -85.27 -18.69 33.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 43' ' ' LEU . 16.8 mm-40 -102.79 174.22 5.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -81.94 148.85 28.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' HB3' ' CB ' ' A' ' 43' ' ' LEU . 50.6 p90 -126.09 162.48 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.545 HG12 ' HD3' ' A' ' 51' ' ' LYS . 94.2 t -132.0 138.22 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 51' ' ' LYS . . . -123.08 109.81 14.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HD3' HG12 ' A' ' 49' ' ' VAL . 1.1 mptm? -139.37 123.81 18.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 72.47 41.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 53.62 34.03 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -137.31 129.51 29.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.94 132.61 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -146.81 170.03 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.607 ' O ' HG23 ' A' ' 61' ' ' THR . 7.7 p -110.65 167.62 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.11 -45.62 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -32.53 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 33.2 m -86.39 -57.28 3.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 57' ' ' CYS . 71.0 p -39.62 -38.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' THR . 89.0 m -37.35 136.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.33 128.12 34.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -121.44 135.94 55.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -70.45 70.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 m -150.95 160.41 32.18 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.66 9.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -139.45 158.49 44.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.0 t -94.94 166.04 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 19.8 tptt -114.29 -25.67 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.28 29.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.61 -13.42 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 61.77 46.72 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -116.53 157.74 24.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.57 119.14 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 83.6 mt -84.74 150.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.1 t -122.13 146.26 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.17 -62.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.98 -42.05 60.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.76 109.44 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -43.92 139.59 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.483 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 1.0 OUTLIER -144.25 173.99 11.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 22.1 t -135.4 107.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.5 tt0 -95.04 130.92 41.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.441 ' CD1' ' HG2' ' A' ' 86' ' ' LYS . 4.0 t80 -119.76 74.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.441 ' HG2' ' CD1' ' A' ' 85' ' ' TYR . 7.9 mmtm 51.23 54.99 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.7 -82.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -77.99 129.57 35.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -116.97 129.42 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.6 m95 -110.1 148.8 31.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -56.8 143.39 37.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -46.31 -30.9 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -83.01 -44.97 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 99.4 m -60.3 -38.84 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.31 92.76 8.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 t -127.59 43.15 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 99.47 -155.94 19.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 162.22 42.92 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.378 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.2 t -92.54 42.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.0 p 40.69 41.96 1.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.44 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -142.79 168.46 19.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -110.19 -52.7 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.31 -163.7 25.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -128.19 -47.02 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.366 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 m -40.06 128.66 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.66 170.91 16.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.1 t -96.1 144.54 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.679 HG11 ' HD3' ' A' ' 27' ' ' ARG . 12.7 m -95.11 0.05 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -105.11 -55.56 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -96.46 2.02 52.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 47.67 31.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -112.43 157.57 39.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.24 44.63 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -106.12 144.32 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.66 172.01 30.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.12 -48.66 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.332 . . . . 0.0 111.081 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.72 -32.39 73.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 p -66.58 124.81 23.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -61.28 101.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -103.64 155.62 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.699 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.9 t -117.8 103.72 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -88.88 113.42 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 9.5 t80 -151.95 128.65 10.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 10.8 mmmm 61.99 47.11 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 57.29 25.69 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.679 ' HD3' HG11 ' A' ' 9' ' ' VAL . 38.4 mtt180 -124.02 179.76 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 14.6 m-85 -155.69 128.08 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.0 m-90 -123.86 142.18 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -66.46 158.32 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -58.23 -12.13 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 p -113.37 -14.58 12.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.2 m -91.81 -36.52 13.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CD2' HG21 ' A' ' 22' ' ' VAL . 31.3 t80 -69.64 99.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -155.04 -179.22 7.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.12 168.88 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.95 -14.08 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -103.67 -40.15 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.7 p -110.53 -11.72 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mp 60.2 40.44 18.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.44 ' O ' HD22 ' A' ' 43' ' ' LEU . 77.5 t60 -100.78 136.79 19.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.823 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.9 Cg_endo -69.78 125.0 11.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.44 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.5 mm? -101.15 13.64 34.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.24 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -97.46 -12.74 22.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -102.83 -178.14 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.6 p -88.44 154.81 20.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -136.55 160.36 39.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.2 t -135.67 126.92 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.48 109.19 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -139.64 149.14 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 42.61 43.06 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 52.6 40.06 29.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -145.27 127.06 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -80.33 132.69 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.0 mt -142.87 162.48 35.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.5 p -104.81 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -70.41 -41.6 72.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -56.42 -30.65 63.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.6 m -91.89 -63.63 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.5 p -42.52 -33.51 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.439 HG23 ' HG3' ' A' ' 64' ' ' GLU . 2.6 t -38.48 143.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.52 131.56 41.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 62' ' ' THR . 49.6 mt-10 -144.79 138.73 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -88.9 23.56 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 t -171.12 133.86 0.92 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 167.42 24.56 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.18 155.35 38.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.5 t -98.47 165.61 11.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 18.4 tptp -115.12 -22.54 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.93 -38.41 56.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.1 p -122.7 -18.41 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.4 t80 72.12 50.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -130.07 156.92 43.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.36 126.88 28.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.412 HG12 ' NE2' ' A' ' 91' ' ' HIS . 52.1 mt -95.39 138.46 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.6 t -102.78 149.78 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.44 -60.23 4.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.03 -37.09 7.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.56 163.63 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.489 ' HG3' ' CB ' ' A' ' 92' ' ' LYS . 5.3 pm0 -86.12 139.6 30.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.42 164.01 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 34.7 t -129.98 106.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 2.2 mt-10 -87.13 133.14 33.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -148.09 108.26 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.2 mttm 61.41 39.64 14.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.24 -50.78 1.88 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 p -79.04 128.71 33.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.08 150.06 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.572 ' CZ2' ' HB3' ' A' ' 70' ' ' LYS . 8.9 m95 -131.6 140.18 49.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' CYS . 27.3 m80 -49.99 132.53 23.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 81' ' ' GLN . 45.0 tptt -34.33 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' HIS . 1.4 m-20 -84.1 -44.63 13.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 91' ' ' HIS . 36.2 m -58.01 -44.13 87.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -66.38 125.67 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.2 m -124.78 -49.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 55.11 95.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 133.2 24.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.9 m -133.72 173.11 11.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.9 t -130.07 -55.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.479 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -68.49 106.9 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -118.32 111.12 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.02 -131.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 67.15 47.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.373 . . . . 0.0 110.895 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -105.9 79.62 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.01 -171.34 29.93 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 14.7 t -101.13 150.78 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.669 HG11 ' HE ' ' A' ' 27' ' ' ARG . 21.6 m -99.57 -10.76 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -86.66 -57.85 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 14.3 p -102.36 9.87 39.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 20.5 mmt85 45.31 35.18 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 21.3 mmtm -111.35 156.59 40.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 141.67 46.17 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.584 HG21 ' CB ' ' A' ' 21' ' ' GLU . 72.4 mt -106.02 133.04 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.2 151.63 23.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.01 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.731 0.3 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.82 -36.97 70.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -72.43 128.22 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -59.21 105.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.584 ' CB ' HG21 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -105.0 156.41 18.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.8 t -114.77 155.23 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.426 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -140.12 114.18 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.46 141.72 20.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm 49.79 47.24 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 55.54 31.23 16.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.669 ' HE ' HG11 ' A' ' 9' ' ' VAL . 13.3 mtp85 -128.12 179.77 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 42.8 m-85 -154.88 131.37 10.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.7 m-90 -126.02 150.58 47.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.467 ' CD2' HG12 ' A' ' 15' ' ' ILE . 15.7 m80 -72.22 160.53 32.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -60.39 -15.56 27.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.2 p -109.42 -17.09 13.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.2 m -88.14 -44.7 10.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CD2' HG21 ' A' ' 22' ' ' VAL . 22.6 t80 -60.42 102.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' A' ' 40' ' ' LEU . 10.0 ptp85 -158.48 -179.98 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 t -71.57 170.33 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.64 -18.25 13.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -98.77 -46.4 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -100.41 -15.82 17.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 3.7 mm? 61.13 52.39 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.742 ' O ' HD22 ' A' ' 43' ' ' LEU . 8.9 t-80 -117.41 142.04 29.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.711 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.0 Cg_endo -69.86 118.75 5.86 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.742 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.9 mm? -98.28 23.36 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.99 -58.32 8.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -90.38 -11.65 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -102.65 169.22 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.3 m -93.14 146.37 23.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -131.16 -179.54 5.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 51' ' ' LYS . 46.6 t -142.36 125.39 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.04 108.67 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' HE3' ' CG1' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -141.09 132.48 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 62.3 39.13 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 53.07 36.3 21.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -141.22 134.13 29.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.0 mm -82.87 129.67 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -140.65 152.28 45.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.3 p -96.58 153.17 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -39.56 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -57.83 -36.26 72.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 62' ' ' THR . 69.7 m -87.42 -55.65 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.447 HG21 ' HB ' ' A' ' 49' ' ' VAL . 62.6 p -38.32 -27.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 60' ' ' CYS . 31.1 m -72.31 85.27 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -106.47 168.57 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.85 158.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -86.8 41.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.3 p -64.26 132.29 95.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.71 0.767 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 176.34 6.88 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.46 153.44 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 11.1 t -101.56 169.11 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 2.8 tmtt? -114.94 -33.84 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.01 -35.28 90.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.6 p -122.03 -18.26 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 69' ' ' CYS . 22.3 m-85 63.04 49.67 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -125.82 162.35 25.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.18 101.1 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.455 ' CG2' ' OD1' ' A' ' 82' ' ' ASN . 57.9 mt -64.93 143.86 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 78' ' ' ALA . 88.4 t -108.87 153.45 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -58.37 -60.87 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.94 -41.54 68.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.01 139.17 58.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -61.6 144.99 53.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.455 ' OD1' ' CG2' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -153.08 154.28 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.587 HG11 ' CD2' ' A' ' 95' ' ' PHE . 21.8 t -124.95 107.73 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.8 tt0 -96.87 127.48 42.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 86' ' ' LYS . 4.0 t80 -114.67 -78.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' A' ' 85' ' ' TYR . 3.5 mtpm? -131.08 84.97 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.59 -35.91 2.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.528 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.2 p -107.56 129.15 55.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -112.47 122.47 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 70' ' ' LYS . 3.1 m95 -103.53 140.7 37.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 92' ' ' LYS . 26.2 m80 -56.16 140.98 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 91' ' ' HIS . 1.9 tppp? -33.63 -38.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 91' ' ' HIS . 6.9 t0 -78.11 -48.8 15.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' HIS . 72.6 m -57.8 -43.97 86.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.587 ' CD2' HG11 ' A' ' 83' ' ' VAL . 15.3 t80 -69.28 160.79 30.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 t -83.76 -60.1 2.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.06 -79.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 124.14 10.8 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 100' ' ' SER . 78.5 p -114.92 -50.43 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 99' ' ' SER . 13.7 t -35.2 137.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.48 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.7 p -67.63 -44.28 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 m -49.48 134.88 18.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.59 174.4 30.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -83.27 45.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -99.17 -63.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.56 146.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.3 t -87.21 144.75 26.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.753 HG11 ' HD2' ' A' ' 27' ' ' ARG . 5.0 m -95.01 -18.31 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -84.3 -56.35 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.2 p -92.61 2.9 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 46.46 25.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -105.46 154.04 39.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.544 0.688 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.18 47.41 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.435 HG12 ' NE2' ' A' ' 30' ' ' HIS . 28.3 mt -109.22 145.97 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.59 -173.06 38.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.62 -41.38 10.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 0.0 111.078 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.91 -32.16 73.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 p -72.18 141.01 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -78.32 101.64 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -98.6 156.66 16.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.57 103.68 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.83 117.96 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 11.9 t80 -151.93 147.03 26.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 8.0 mmpt? 40.11 46.79 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 58.39 37.61 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.753 ' HD2' HG11 ' A' ' 9' ' ' VAL . 22.3 mmt180 -132.0 -178.69 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 15.5 m-85 -159.27 122.38 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.9 m-90 -124.28 141.83 51.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.435 ' NE2' HG12 ' A' ' 15' ' ' ILE . 13.9 m80 -64.74 163.35 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -15.62 33.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.1 t -110.4 -14.18 14.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.0 m -87.82 -46.89 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -59.92 109.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -166.82 172.67 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.8 t -66.94 164.73 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.19 -10.37 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -103.86 -44.5 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.8 p -104.64 -18.25 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 mt 66.32 49.98 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.577 ' O ' HD22 ' A' ' 43' ' ' LEU . 79.6 t60 -112.9 136.12 21.66 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.429 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.3 Cg_endo -69.76 118.91 5.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.6 mm? -98.35 32.49 2.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -49.99 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -108.85 -2.77 18.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -101.63 168.83 9.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -91.44 149.11 21.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -137.15 178.8 6.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.63 135.4 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.47 110.15 22.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -141.07 149.49 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.81 46.2 3.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 47.11 42.71 13.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -145.34 139.05 26.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.4 mm -87.59 127.93 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.6 mt -142.6 153.86 43.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.407 ' O ' HG23 ' A' ' 61' ' ' THR . 13.6 p -96.99 171.03 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -59.69 -50.73 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -46.99 -43.12 19.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' THR . 36.0 m -75.63 -64.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 57' ' ' CYS . 75.9 p -40.19 -26.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' CYS . 88.0 m -49.58 138.44 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 63' ' ' ARG . 3.7 ptp180 -55.9 140.2 43.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 66' ' ' SER . 2.1 pp20? -158.85 179.32 9.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' CG ' ' OE1' ' A' ' 64' ' ' GLU . 1.5 p30 -60.07 76.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 64' ' ' GLU . 58.7 p -121.02 153.95 57.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 110.814 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 171.44 14.52 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -131.65 163.73 27.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.0 t -108.46 164.93 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 4.9 tptp -111.12 -24.66 10.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.42 ' N ' ' CE3' ' A' ' 90' ' ' TRP . . . -75.12 -41.72 31.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.85 -16.41 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' A' ' 70' ' ' LYS . 33.1 m-85 65.36 51.19 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -131.49 152.99 50.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.39 109.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 91.1 mt -70.65 132.63 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 80' ' ' ASP . 48.1 t -82.37 144.36 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.81 -56.69 18.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.6 43.84 2.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.409 ' CG ' ' HB ' ' A' ' 77' ' ' VAL . 1.2 m-20 -133.33 163.44 29.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -76.3 124.88 28.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.474 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -143.48 160.13 41.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.443 ' C ' HG23 ' A' ' 89' ' ' VAL . 21.7 t -127.8 108.05 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 4.6 tt0 -99.31 127.5 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' A' ' 86' ' ' LYS . 3.5 t80 -114.55 -77.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.537 ' HG3' ' CE1' ' A' ' 85' ' ' TYR . 51.3 mttm -132.24 87.79 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.13 -39.91 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 p -105.32 126.39 52.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.089 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -111.26 123.08 66.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.3 m95 -104.19 141.04 36.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -49.16 160.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -66.44 -6.64 15.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.71 -27.85 9.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.3 m -77.71 -39.28 45.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -73.96 88.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 m -127.57 96.3 4.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -38.64 105.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 159.54 53.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -147.05 179.16 7.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -123.31 156.08 36.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.192 -0.782 . . . . 0.0 112.485 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -70.96 97.43 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.836 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 t -101.05 83.96 2.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.62 174.87 16.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -73.12 -53.74 10.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.814 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.538 ' HB2' ' CG ' ' A' ' 28' ' ' PHE . 8.7 p -122.35 -48.53 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.11 165.51 0.61 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 t -104.03 146.61 28.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.8 HG11 ' NE ' ' A' ' 27' ' ' ARG . 12.1 m -95.52 -7.5 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -91.42 -56.0 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ARG . 13.7 p -103.22 15.84 28.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER 36.85 39.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -116.52 158.1 44.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.42 47.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' A' ' 21' ' ' GLU . 88.4 mt -105.91 139.8 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.61 165.4 23.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.92 54.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.45 -33.57 75.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.7 m -67.14 123.04 19.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -61.11 104.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HB3' HG21 ' A' ' 15' ' ' ILE . 3.7 pt-20 -109.09 161.62 15.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.1 t -124.46 104.86 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -89.12 110.86 21.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -151.73 146.1 25.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 6.5 mtmp? 49.18 53.77 12.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER 48.76 26.89 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.8 ' NE ' HG11 ' A' ' 9' ' ' VAL . 5.7 mmm180 -130.59 177.15 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.538 ' CG ' ' HB2' ' A' ' 6' ' ' SER . 13.2 m-85 -150.57 131.11 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.9 m-90 -125.14 145.47 49.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -66.89 169.61 7.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -4.85 20.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 t -123.62 -10.44 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 65.1 m -94.12 -29.14 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -79.49 107.65 12.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.498 ' HD3' ' CD1' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -156.78 -177.0 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.425 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 40.1 t -79.9 129.5 34.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.86 13.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HD3' HD22 ' A' ' 56' ' ' LEU . 16.0 mtpp -121.09 -44.27 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.31 -2.29 13.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.498 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 3.6 mm? 56.75 53.49 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.5 ' O ' HD22 ' A' ' 43' ' ' LEU . 55.9 t60 -121.13 135.23 24.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.873 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 122.63 9.3 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.7 mm? -97.85 19.8 13.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.55 -39.23 64.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -115.75 -3.39 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.445 ' CG ' HD12 ' A' ' 43' ' ' LEU . 5.7 tp10 -115.51 149.44 38.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.1 p -46.03 156.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -148.58 147.71 29.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG12 ' HD3' ' A' ' 51' ' ' LYS . 39.8 t -130.93 150.04 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.53 120.15 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HD3' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -136.44 138.06 41.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 49.03 37.86 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m120 63.32 34.68 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -134.87 133.61 39.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.3 mm -82.21 134.95 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.572 HD22 ' HD3' ' A' ' 38' ' ' LYS . 97.6 mt -147.84 173.09 13.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.993 ' O ' HG23 ' A' ' 61' ' ' THR . 1.9 p -110.17 167.35 10.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -64.71 -45.02 88.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -24.29 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.426 ' HB3' ' CE ' ' A' ' 38' ' ' LYS . 18.9 m -95.45 -48.69 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.993 HG23 ' O ' ' A' ' 57' ' ' CYS . 34.7 p -45.77 -44.59 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.504 HG23 ' N ' ' A' ' 63' ' ' ARG . 8.6 t -61.0 -46.54 90.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.504 ' N ' HG23 ' A' ' 62' ' ' THR . 6.9 tmm_? -110.79 90.53 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -93.83 -48.05 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.6 t0 49.86 34.57 7.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.37 145.31 30.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.885 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 173.4 11.03 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.703 2.269 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -120.97 154.24 36.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.7 t -97.08 165.69 11.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 1.5 tmtm? -114.22 -22.54 9.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.58 -39.97 48.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.2 p -124.49 -13.91 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 63.69 54.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -131.24 152.19 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.13 116.33 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.489 HD13 HG22 ' A' ' 89' ' ' VAL . 30.2 mt -81.93 138.58 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.52 143.27 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' GLY . . . -52.0 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' ALA . . . -37.57 -38.62 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.02 143.61 57.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.301 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.419 ' CD ' ' HG2' ' A' ' 92' ' ' LYS . 6.7 pt20 -77.86 131.01 37.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -139.78 166.36 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 24.8 t -123.29 108.54 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 20.3 tt0 -90.23 122.73 33.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -146.41 126.86 14.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt 52.69 42.22 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.24 -46.63 3.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.8 p -80.16 128.24 33.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -109.41 123.73 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.58 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 11.7 m95 -104.8 134.4 47.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 93' ' ' ASP . 25.3 m80 -46.42 134.52 9.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HG2' ' CD ' ' A' ' 81' ' ' GLN . 46.2 tptt -42.92 -22.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 91' ' ' HIS . 14.1 t70 -92.86 -39.05 11.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 m -62.69 -39.07 92.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -83.45 82.82 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.9 p -89.21 -49.43 6.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 143.64 120.52 1.48 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' SER . 53.4 Cg_endo -69.75 -3.05 11.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 100' ' ' SER . 36.6 m -37.51 135.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' SER . 3.3 m -36.46 150.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.481 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 p -63.76 162.4 13.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m 53.28 47.1 25.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.33 -70.8 0.82 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -53.76 125.44 18.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 m -99.17 158.65 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.85 178.07 16.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.6 t -99.51 144.67 28.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.896 HG11 ' HD2' ' A' ' 27' ' ' ARG . 12.3 m -93.62 -9.8 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.73 -54.32 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' LYS . 21.1 p -101.41 17.49 22.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 31.71 36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 11' ' ' CYS . 19.4 mttt -114.65 159.22 37.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.75 46.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.417 HG12 ' NE2' ' A' ' 30' ' ' HIS . 67.2 mt -106.59 144.45 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.79 160.36 20.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.59 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 0.3 OUTLIER -69.73 -29.96 67.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 p -70.8 133.16 46.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -64.19 104.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -105.37 148.76 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -117.19 106.06 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -91.35 114.7 27.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -150.81 121.99 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER 65.19 45.67 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.3 m120 59.39 28.06 17.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.896 ' HD2' HG11 ' A' ' 9' ' ' VAL . 38.6 mmt180 -122.34 -179.11 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 20.2 m-85 -159.88 124.43 3.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.3 m-90 -125.03 144.73 50.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.417 ' NE2' HG12 ' A' ' 15' ' ' ILE . 22.2 m80 -69.02 156.3 38.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -13.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 p -110.32 -18.91 13.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.6 m -86.51 -45.42 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -59.05 100.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -158.21 173.79 16.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 t -67.29 166.5 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.62 -7.39 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -106.07 -48.1 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.9 p -103.35 -12.46 17.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.3 mt 61.12 54.11 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -117.17 135.12 23.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 110.818 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 123.0 9.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.285 . . . . 0.0 112.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.06 31.42 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.2 -42.63 86.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.65 -2.21 13.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -104.41 174.03 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.9 m -86.99 150.77 23.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -141.09 174.78 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.0 t -146.5 136.15 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.86 20.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -141.05 150.04 42.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 t70 49.23 37.03 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.9 t30 52.88 36.08 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -141.43 132.84 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -76.78 126.31 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.0 mt -138.46 155.54 48.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 61' ' ' THR . 18.9 p -99.05 174.23 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -64.98 -42.47 94.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -53.76 -42.87 68.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.6 m -76.43 -59.27 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 57' ' ' CYS . 68.6 p -47.69 -39.06 16.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 94.7 m -85.41 -65.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -91.32 144.11 25.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 62.44 44.17 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -107.12 89.7 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.9 m -100.35 137.22 19.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 178.2 4.8 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -137.88 159.61 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.1 t -101.23 164.83 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 1.8 tmtt? -116.26 -27.7 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.35 95.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.2 p -124.61 -21.59 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.5 t80 73.59 52.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -128.09 151.73 48.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.61 123.02 13.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.1 mt -86.51 136.96 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.27 145.5 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.27 -58.57 7.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.64 -41.49 42.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.84 113.92 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.735 0.302 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -51.5 131.48 29.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.497 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -130.61 169.0 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 17.7 t -125.76 108.42 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 9.1 tt0 -94.92 124.05 38.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.585 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 86.8 t80 -143.87 106.8 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.585 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 2.8 mtpm? 65.79 54.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.31 -49.48 3.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -78.96 125.82 29.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 111.085 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -113.76 120.94 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 7.7 m95 -101.22 143.85 30.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -52.14 143.32 14.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -44.56 -28.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -88.32 -47.99 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 44.2 m -55.58 -42.57 74.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -70.22 110.21 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.8 t -102.1 84.54 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -124.93 -90.92 0.86 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.88 15.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.64 2.226 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.6 p -83.04 49.12 1.47 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 m -100.65 -45.05 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.491 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 m -52.26 155.43 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -81.26 104.76 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.01 82.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -78.9 -55.23 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -43.93 143.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.21 -174.76 33.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.1 t -97.87 144.07 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -96.05 -14.72 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.65 -56.52 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -91.02 -8.14 49.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 58.66 27.87 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -110.37 156.52 40.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.98 52.56 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.444 HG12 ' NE2' ' A' ' 30' ' ' HIS . 70.3 mt -111.09 146.41 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.03 157.05 19.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.472 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.9 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -56.68 -30.58 63.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -81.78 129.97 34.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -65.33 104.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.34 171.22 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.501 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.9 t -121.43 103.93 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -90.49 113.99 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -152.06 132.91 14.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.71 44.92 13.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 57.45 28.78 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 17.9 mtm180 -128.94 -179.2 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -155.59 131.72 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.0 m-90 -125.31 149.28 48.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' NE2' HG12 ' A' ' 15' ' ' ILE . 14.5 m80 -71.6 156.83 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -11.25 2.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.6 p -112.91 -16.65 12.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.0 m -89.65 -46.87 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CD2' HG21 ' A' ' 22' ' ' VAL . 27.4 t80 -55.89 103.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.496 ' NE ' HD12 ' A' ' 40' ' ' LEU . 17.4 ptt180 -160.13 168.11 26.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 t -61.79 168.96 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.25 -10.18 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -104.57 -46.37 4.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.35 -8.36 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.496 HD12 ' NE ' ' A' ' 35' ' ' ARG . 4.3 mm? 58.25 43.87 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -105.8 130.44 23.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 122.66 9.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.479 HD12 ' HG2' ' A' ' 46' ' ' GLU . 1.3 mm? -95.01 15.75 18.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.4 -37.49 62.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -115.83 -6.1 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HG2' HD12 ' A' ' 43' ' ' LEU . 4.2 tt0 -116.21 152.45 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 23.9 p -57.73 148.62 24.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 8.6 p90 -131.27 158.8 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 50' ' ' ALA . 96.9 t -131.78 152.01 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -118.02 108.62 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -141.21 144.51 34.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 55.65 43.86 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m120 47.96 35.67 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -146.95 147.28 30.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.4 128.27 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.9 mt -141.21 151.96 44.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.0 p -98.69 155.75 17.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 1.1 p30 -45.76 -55.35 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -41.67 -36.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' THR . 68.5 m -84.43 -70.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' CYS . 17.4 p -37.67 -42.9 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 58' ' ' ASN . 19.6 p -49.34 -179.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -47.8 172.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 66.6 45.0 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' SER . 26.4 t0 -126.56 88.7 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ASP . 6.3 t -34.81 138.77 0.34 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 0.0 110.824 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.74 4.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -131.1 151.37 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.2 t -97.9 165.76 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.3 tmtt? -115.3 -22.67 9.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.08 -37.06 56.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.1 p -125.66 -12.71 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 62.98 53.76 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -135.42 151.29 50.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.64 126.72 28.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 91' ' ' HIS . 45.9 mt -89.27 137.74 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.17 144.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.54 -59.88 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.62 50.0 3.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 81' ' ' GLN . 6.7 m-20 -141.38 112.06 7.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 80' ' ' ASP . 3.2 mp0 -36.28 120.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.74 159.82 40.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 19.5 t -121.63 107.87 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 3.3 tt0 -95.34 122.22 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.552 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 87.7 t80 -142.1 130.02 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.552 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 15.2 mtpp 48.89 41.85 19.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.94 -49.29 3.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.8 p -77.83 127.44 32.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -111.37 124.65 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.3 m95 -105.01 141.68 36.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 93' ' ' ASP . 23.9 m80 -50.94 135.73 24.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 91' ' ' HIS . 8.3 tptp -36.03 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 91' ' ' HIS . 13.5 m-20 -87.33 -44.86 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' HIS . 18.7 m -56.58 -45.2 81.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -58.47 150.84 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' GLY . 3.8 m -132.88 107.66 8.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 96' ' ' SER . . . -35.27 -66.06 0.38 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.481 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 115.0 3.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.613 2.209 . . . . 0.0 112.382 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 m -115.84 163.47 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.1 m -155.62 169.13 25.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.472 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.8 t -93.1 145.98 24.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.5 m -96.71 -14.02 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.25 -56.14 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.2 p -94.46 -1.93 52.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 52.64 29.96 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -111.22 156.5 40.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 141.3 44.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.42 HG12 ' NE2' ' A' ' 30' ' ' HIS . 72.4 mt -104.68 138.91 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.77 173.15 52.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -44.02 21.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 111.077 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.72 -36.45 75.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 p -59.6 120.17 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -68.55 105.29 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -106.25 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.6 t -123.52 106.21 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -90.51 117.94 29.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.599 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 18.6 t80 -152.6 136.91 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 10.3 mmpt? 51.77 46.81 25.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 57.95 33.45 23.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.588 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.6 mtt85 -129.96 -178.49 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 22.5 m-85 -158.92 127.54 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.588 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.1 m-90 -125.37 139.55 53.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.7 m80 -65.27 151.05 47.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -50.66 -18.05 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.3 t -105.48 -16.48 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.5 m -88.83 -46.66 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 34.1 t80 -59.61 104.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.548 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 18.4 ptt180 -163.73 168.57 19.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.15 167.32 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.68 -9.97 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -104.48 -48.37 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.0 p -103.98 -9.24 19.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.548 HD12 ' CZ ' ' A' ' 35' ' ' ARG . 2.0 mm? 57.59 48.71 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -107.18 132.06 21.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 116.28 4.49 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 1.7 mm? -86.94 25.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.0 79.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -115.66 -6.96 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG2' HD12 ' A' ' 43' ' ' LEU . 2.5 tt0 -120.22 148.08 44.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.446 ' OG1' ' ND2' ' A' ' 58' ' ' ASN . 22.3 p -51.45 166.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -145.55 164.01 32.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.705 HG12 ' HD3' ' A' ' 51' ' ' LYS . 38.8 t -141.39 131.84 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.41 113.51 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.705 ' HD3' HG12 ' A' ' 49' ' ' VAL . 2.0 mptm? -135.82 137.63 41.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 55.61 43.14 28.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 55.3 39.6 31.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -141.75 134.46 28.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.0 mm -87.06 131.67 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -147.72 159.67 43.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.831 ' O ' HG23 ' A' ' 61' ' ' THR . 18.7 p -98.78 164.91 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.446 ' ND2' ' OG1' ' A' ' 47' ' ' THR . 1.7 p30 -62.09 -33.81 75.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -62.0 -31.06 71.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.1 m -91.56 -45.14 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.831 HG23 ' O ' ' A' ' 57' ' ' CYS . 73.7 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 120.879 0.283 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -129.33 143.94 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.3 t -78.16 167.21 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.0 tmtm? -114.93 -23.13 9.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.03 -33.7 28.81 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.54 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.5 p -123.79 -17.14 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 62.11 48.91 4.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -118.79 147.73 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.61 113.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.562 HD13 ' CG2' ' A' ' 89' ' ' VAL . 90.7 mt -81.95 152.83 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.42 ' N ' HG22 ' A' ' 76' ' ' ILE . 59.4 t -122.96 145.2 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.87 -58.48 7.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.41 -40.68 92.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.61 154.13 7.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.832 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -80.89 124.51 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.442 ' OD1' HG23 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -139.53 159.93 41.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.705 HG11 ' CD2' ' A' ' 95' ' ' PHE . 29.7 t -122.16 108.39 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.666 ' HG3' HG12 ' A' ' 89' ' ' VAL . 36.0 tt0 -92.16 133.36 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 24.4 t80 -126.34 -77.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 21.1 mtpp -123.65 87.73 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.98 -46.39 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.413 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.543 HG21 ' HB2' ' A' ' 70' ' ' LYS . 1.9 m -100.73 148.99 24.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.666 HG12 ' HG3' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -122.18 128.32 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.8 m95 -100.78 135.62 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -46.78 144.85 2.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -38.43 -36.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.44 -56.17 4.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 72.6 m -48.34 -34.5 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.705 ' CD2' HG11 ' A' ' 83' ' ' VAL . 15.4 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.0 t -88.62 149.73 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 m -96.73 -23.0 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 2.7 tm-20 -79.57 -55.96 4.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' ARG . 23.7 p -95.34 9.13 41.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' CYS . 5.0 mtm105 37.6 32.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' CYS . 16.4 mttm -111.87 158.9 35.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 138.41 37.63 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.34 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.433 HG12 ' NE2' ' A' ' 30' ' ' HIS . 61.5 mt -103.28 149.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -109.39 151.2 17.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.49 95.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -56.45 -34.09 66.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -81.59 121.13 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 104.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -99.01 174.51 6.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.9 t -130.47 106.54 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -94.22 121.79 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.583 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 19.2 t80 -152.6 134.41 14.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 40.7 mmtt 51.66 46.31 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 60.29 37.98 20.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.574 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.8 mmm180 -131.08 -178.31 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.4 m-85 -161.2 122.2 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.6 m-90 -125.26 139.02 54.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' NE2' HG12 ' A' ' 15' ' ' ILE . 15.6 m80 -65.31 158.97 24.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -19.55 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -105.83 -13.3 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.9 m -90.31 -45.8 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -62.02 104.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -159.91 172.93 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.9 t -67.64 167.58 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.18 -18.35 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.052 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -97.09 -44.56 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.1 p -103.0 -21.07 13.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mt 67.11 54.97 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.534 ' O ' HD22 ' A' ' 43' ' ' LEU . 12.9 t60 -118.36 138.34 25.59 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.521 0.677 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.87 2.41 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.3 mm? -84.61 27.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.42 -61.88 2.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -82.64 -20.17 36.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -101.18 174.77 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -87.81 163.89 16.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -136.4 165.82 24.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.5 t -136.73 122.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.23 111.56 23.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -140.17 141.95 35.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 51.46 39.53 24.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 53.81 41.99 31.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -146.34 130.31 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -78.01 129.01 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt -146.41 157.65 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.446 ' O ' HG23 ' A' ' 61' ' ' THR . 16.5 p -99.91 161.39 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -50.24 -41.84 50.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -53.54 -53.57 49.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.4 m -66.55 -57.45 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 57' ' ' CYS . 66.6 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.8 0.25 . . . . 0.0 112.398 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -141.57 157.35 45.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.6 t -95.76 162.6 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 21.9 tptt -115.21 -27.99 7.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.24 -36.63 93.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.539 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.7 p -124.7 -21.83 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.0 t80 73.74 51.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -123.69 142.84 50.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.51 119.06 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.07 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.438 HG21 ' CG ' ' A' ' 82' ' ' ASN . 94.3 mt -83.19 151.22 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.3 t -106.03 142.0 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.51 -55.05 12.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.01 -36.44 90.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.33 139.87 51.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -77.75 114.16 16.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.438 ' CG ' HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -110.33 156.99 19.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.9 t -121.23 112.2 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -95.69 111.02 23.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.545 ' CE2' ' HG3' ' A' ' 86' ' ' LYS . 21.6 t80 -98.13 -72.02 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.545 ' HG3' ' CE2' ' A' ' 85' ' ' TYR . 20.8 mttm -126.58 64.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.94 -32.22 3.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.44 HG21 ' HD3' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -96.68 126.36 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 111.171 -179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.09 140.45 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 11.2 m95 -127.74 138.85 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 93' ' ' ASP . 24.3 m170 -53.5 127.19 24.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' HIS . 37.0 tptt -36.54 -29.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 91' ' ' HIS . 43.8 m-20 -81.62 -53.99 5.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.5 m -53.34 -32.01 47.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 t -112.72 145.53 40.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.392 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.58 HG11 ' HD3' ' A' ' 27' ' ' ARG . 5.9 m -95.24 -7.45 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -56.16 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 p -104.16 11.98 34.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 46.32 28.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -109.62 154.59 42.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.555 0.693 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 142.55 48.29 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.344 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 21' ' ' GLU . 56.6 mt -105.69 145.32 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.19 171.8 31.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.434 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.52 -49.23 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.74 -33.3 66.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.3 p -74.26 121.8 21.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -66.15 104.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.0 pt-20 -95.93 168.95 10.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.81 104.36 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -92.42 115.9 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -152.43 128.13 10.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 60.89 44.54 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.1 m120 59.5 34.0 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 2.6 mmp_? -128.61 -178.72 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 26.5 m-85 -160.5 121.87 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.5 m-90 -120.75 144.43 48.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.43 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.2 m80 -64.24 160.86 17.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -7.58 4.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -119.56 -15.82 8.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -86.5 -37.96 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -67.02 105.26 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -159.39 173.89 15.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.8 t -68.0 169.94 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.46 -9.53 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -108.34 -49.91 3.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.6 p -104.52 1.24 29.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp 47.18 46.04 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.519 ' CD2' ' HD2' ' A' ' 42' ' ' PRO . 3.8 t60 -102.04 131.75 22.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.519 ' HD2' ' CD2' ' A' ' 41' ' ' HIS . 53.4 Cg_endo -69.74 121.86 8.55 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.3 15.82 28.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.13 -56.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -107.93 -0.67 21.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.34 167.6 10.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.0 p -79.76 141.3 36.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -132.29 170.16 15.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.6 t -141.54 129.09 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.41 109.23 22.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -138.96 154.11 48.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 45.2 39.4 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 52.45 43.23 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -147.58 150.89 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.3 mm -93.34 123.53 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -137.42 161.03 37.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.2 p -102.08 150.35 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -43.43 -50.31 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.0 -55.55 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.9 m -63.65 -57.88 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.871 0.279 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -130.77 149.11 52.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.501 ' CA ' HD11 ' A' ' 76' ' ' ILE . 10.8 t -88.36 167.75 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 5.2 tmtt? -118.28 -26.27 6.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.3 -34.8 57.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.4 p -124.19 -21.18 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 71.78 51.41 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -126.92 158.11 37.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.87 118.38 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.648 HD13 ' CG2' ' A' ' 89' ' ' VAL . 48.5 mt -90.66 146.37 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.0 t -122.69 140.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.41 -65.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.13 -45.5 20.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -58.88 136.66 57.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.716 0.293 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -63.61 124.29 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.444 ' ND2' ' CG2' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -144.97 154.1 42.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.581 HG11 ' CD2' ' A' ' 95' ' ' PHE . 25.6 t -111.57 106.77 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.563 ' HG3' HG12 ' A' ' 89' ' ' VAL . 35.1 tt0 -88.76 125.98 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -147.87 113.81 5.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.1 mttm 57.58 54.31 6.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.96 -47.15 2.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.5 p -82.17 126.46 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.648 ' CG2' HD13 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -113.65 129.89 68.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.1 m95 -111.82 129.05 56.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 92' ' ' LYS . 23.1 m80 -40.24 142.62 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 91' ' ' HIS . 38.2 tptt -36.69 -36.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.55 -58.99 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 61.7 m -40.79 -46.36 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.581 ' CD2' HG11 ' A' ' 83' ' ' VAL . 9.3 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 13.3 t -89.08 152.46 21.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -97.0 -8.54 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -93.77 -57.96 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 13' ' ' LYS . 13.9 p -104.69 21.09 17.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' CYS . 21.4 mmt85 30.99 37.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' CYS . 21.3 mttp -105.32 158.36 32.35 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.543 0.687 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 135.72 31.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.464 HG21 ' HB3' ' A' ' 21' ' ' GLU . 71.5 mt -102.89 134.81 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.69 139.54 14.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.29 64.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -58.19 -34.22 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -74.58 127.06 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.94 104.92 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HB3' HG21 ' A' ' 15' ' ' ILE . 5.0 pm0 -101.04 152.48 20.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' A' ' 34' ' ' PHE . 59.3 t -114.42 103.45 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -90.4 116.63 28.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 17.3 t80 -152.47 137.26 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 55.7 mmtt 55.32 45.4 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 57.98 27.22 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.606 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.4 mmt180 -128.55 -179.68 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 7.3 m-85 -154.47 128.56 8.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.606 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.3 m-90 -122.42 139.1 54.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 38.6 m80 -62.56 157.33 20.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -13.58 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.6 t -110.41 -19.75 12.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.4 m -85.03 -44.54 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.499 ' CD2' HG21 ' A' ' 22' ' ' VAL . 23.3 t80 -59.39 99.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -156.87 171.84 19.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.3 t -65.7 164.43 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.5 -8.9 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -106.94 -45.56 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.1 p -104.7 -8.86 18.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.5 mm? 54.92 52.59 11.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.545 ' O ' HD22 ' A' ' 43' ' ' LEU . 68.8 t60 -114.98 139.32 24.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.75 126.2 13.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.545 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.4 mm? -101.54 15.35 29.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.0 -37.21 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -115.99 -5.45 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -116.74 146.18 42.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.2 p -55.28 160.46 2.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -138.21 168.91 18.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.2 t -141.0 133.85 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.79 114.3 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -140.61 132.77 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 55.82 42.08 29.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 53.93 39.72 30.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -142.57 130.83 22.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.7 125.26 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.9 mt -138.26 152.61 48.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 p -102.3 165.5 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 1.3 p30 -53.68 -53.02 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -41.52 -44.21 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.7 m -75.85 -64.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.853 0.272 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 165.78 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.4 t -109.33 161.97 14.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.587 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.7 tptm -113.27 -25.15 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.87 -30.17 59.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.8 p -125.89 -16.39 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 61.78 49.38 4.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -126.66 150.71 48.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.93 116.42 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.56 HG21 ' CG ' ' A' ' 82' ' ' ASN . 38.4 mt -76.94 138.99 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.6 t -73.53 143.74 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.37 -51.88 24.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.09 55.99 3.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.18 139.78 52.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -73.54 93.33 2.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.56 ' CG ' HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -98.69 153.63 18.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 t -116.17 110.17 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.509 ' CG ' HG22 ' A' ' 89' ' ' VAL . 11.6 mt-10 -84.68 130.65 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -151.27 105.56 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.22 25.34 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.28 -36.56 3.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.3 p -83.32 126.15 32.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 111.178 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 84' ' ' GLU . 2.9 t -93.74 141.36 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 5.2 m95 -131.7 134.48 45.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' ASP . 26.8 m80 -53.69 130.32 36.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' HIS . 0.7 OUTLIER -34.45 -31.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 91' ' ' HIS . 26.9 t0 -82.87 -53.84 5.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.2 m -52.06 -43.12 63.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 17.3 t -95.25 147.93 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.61 HG11 ' HD3' ' A' ' 27' ' ' ARG . 12.9 m -97.27 -9.4 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.13 -56.58 3.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 p -105.34 14.46 28.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 39.94 37.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -110.26 156.65 39.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 142.78 48.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.411 HG12 ' NE2' ' A' ' 30' ' ' HIS . 94.4 mt -111.67 144.12 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.26 -178.59 37.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.29 -43.66 12.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -68.66 -30.01 68.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -68.08 133.17 48.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -66.09 103.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.66 157.3 17.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' A' ' 34' ' ' PHE . 53.9 t -122.22 104.22 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.44 113.63 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -151.3 137.51 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt 54.96 43.09 30.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 59.21 26.97 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.61 ' HD3' HG11 ' A' ' 9' ' ' VAL . 47.0 mtt180 -128.49 177.03 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 16.2 m-85 -149.61 130.43 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.8 m-90 -124.68 140.55 52.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 42.1 m80 -65.7 150.63 48.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -49.85 -20.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 p -102.36 -19.37 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.4 m -87.23 -48.09 8.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.432 ' CD2' HG21 ' A' ' 22' ' ' VAL . 39.6 t80 -55.7 98.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -159.63 166.35 30.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.6 t -59.05 172.6 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.63 -19.93 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -92.36 -53.03 4.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.9 p -99.2 -18.27 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt 67.94 52.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -113.13 132.05 22.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 0.0 110.885 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 116.62 4.65 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.19 27.12 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.89 -60.28 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -92.91 -13.92 28.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -93.82 177.4 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 48' ' ' PHE . 47.6 m -102.78 154.39 19.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.424 ' N ' HG22 ' A' ' 47' ' ' THR . 7.5 p90 -137.26 178.43 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HB ' HG21 ' A' ' 61' ' ' THR . 89.8 t -138.43 123.29 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.35 108.82 17.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -139.87 148.22 41.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 47.65 41.25 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 m120 51.77 38.48 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -147.24 147.5 30.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.9 127.55 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -136.46 150.58 48.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.4 p -91.77 161.5 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -55.27 -43.99 75.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -33.63 66.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.2 m -80.36 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.417 HG21 ' HB ' ' A' ' 49' ' ' VAL . 36.5 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.847 0.269 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.11 158.93 36.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.1 t -101.77 165.2 11.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.634 ' HB2' HG21 ' A' ' 88' ' ' THR . 26.2 tptt -113.91 -23.02 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.18 -40.56 28.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.537 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.8 p -121.98 -13.77 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 62.3 52.34 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -123.23 153.06 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.72 106.03 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.0 mt -68.6 142.37 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 78' ' ' ALA . 63.8 t -102.66 152.41 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -60.58 -66.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.58 -41.99 34.74 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -56.21 157.22 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.803 0.335 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -90.0 128.77 36.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.565 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 1.2 p30 -131.2 176.17 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.514 ' C ' HG23 ' A' ' 89' ' ' VAL . 19.9 t -139.82 112.25 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 4.8 tt0 -102.45 134.92 44.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -123.61 -80.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -120.15 91.32 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.24 -47.74 1.7 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.634 HG21 ' HB2' ' A' ' 70' ' ' LYS . 3.4 m -96.8 155.93 16.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.565 ' CG2' ' HB2' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -133.58 126.17 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.514 ' CH2' ' HG2' ' A' ' 70' ' ' LYS . 2.5 m95 -100.39 145.95 27.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -53.95 149.23 9.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -46.83 -30.25 2.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -85.81 -50.45 7.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 87.8 m -51.47 -44.11 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -94.11 143.25 26.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.942 0.401 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 m -95.13 -5.72 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.32 -55.65 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 p -98.18 1.64 47.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? 51.72 26.4 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -108.11 157.55 35.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.43 48.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.497 HG21 ' HB3' ' A' ' 21' ' ' GLU . 61.4 mt -108.53 147.37 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.61 142.96 16.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.3 -48.92 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.094 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.04 -33.69 75.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 m -64.72 131.4 46.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -63.9 103.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.497 ' HB3' HG21 ' A' ' 15' ' ' ILE . 5.0 pt-20 -111.05 157.87 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 t -117.33 104.12 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -91.11 117.69 29.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -152.19 121.26 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.95 49.46 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 56.65 31.22 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.639 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 32.9 mtt85 -126.64 -178.78 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.1 m-85 -161.43 126.91 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.8 m-90 -125.52 140.18 52.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' NE2' HG12 ' A' ' 15' ' ' ILE . 14.1 m80 -64.25 156.35 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -55.99 -13.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -111.78 -17.62 12.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.6 m -86.41 -40.22 15.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -65.75 105.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HD3' ' C ' ' A' ' 40' ' ' LEU . 5.2 ptp85 -163.12 171.23 16.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.33 167.08 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.26 -15.14 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -100.75 -48.4 4.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.11 -9.17 21.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.703 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.0 OUTLIER 53.32 54.4 10.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.723 ' O ' HD22 ' A' ' 43' ' ' LEU . 11.2 t60 -114.74 142.07 27.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.75 113.14 3.27 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.9 mm? -90.24 20.68 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.29 -62.07 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -81.83 -19.03 41.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -102.41 176.68 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 43' ' ' LEU . 20.7 m -82.36 155.57 24.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.408 ' N ' HG22 ' A' ' 47' ' ' THR . 43.5 p90 -130.54 158.99 38.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' ' HD3' ' A' ' 51' ' ' LYS . 77.7 t -134.43 140.92 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.56 111.82 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.45 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 6.1 mptt -141.02 135.22 30.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.63 34.43 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.1 m120 60.24 41.1 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -146.01 133.33 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.9 mm -82.96 133.27 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.0 mt -146.39 167.5 23.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.6 p -110.65 158.3 18.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -52.51 -45.62 66.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -50.03 -36.88 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.5 m -86.37 -63.17 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.848 0.27 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.41 157.62 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.4 t -97.05 164.45 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.9 tptm -111.28 -21.45 11.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.49 -34.82 34.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 7.8 p -122.07 -24.97 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 t80 74.22 49.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -121.85 164.3 17.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.89 105.19 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 91' ' ' HIS . 61.6 mt -70.78 137.51 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 78' ' ' ALA . 91.6 t -109.25 152.52 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -49.56 -60.41 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.99 -37.71 86.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.1 111.7 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.743 0.306 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.488 ' HB3' ' CG ' ' A' ' 92' ' ' LYS . 12.1 mm-40 -39.79 147.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.437 HD22 ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -154.23 156.97 38.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 22.0 t -127.41 108.15 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 3.4 tt0 -98.12 128.13 44.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 86' ' ' LYS . 3.1 t80 -114.24 -77.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 85' ' ' TYR . 34.6 mttm -134.59 84.74 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.1 -39.79 2.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.3 p -105.48 126.79 52.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 111.115 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -110.2 123.23 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.562 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.8 m95 -104.89 140.36 38.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.439 ' NE2' HG12 ' A' ' 76' ' ' ILE . 27.6 m80 -49.73 158.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.488 ' CG ' ' HB3' ' A' ' 81' ' ' GLN . 8.1 mmmt -59.95 -24.7 64.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.74 -35.2 16.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.9 m -72.42 -30.45 64.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 33.1 t -88.7 147.4 24.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.28 -22.81 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -73.13 -55.2 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.4 p -97.9 -2.57 40.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 53.85 31.08 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -107.85 156.87 37.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.572 0.701 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.46 45.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.432 HG21 ' HB3' ' A' ' 21' ' ' GLU . 85.6 mt -108.79 142.02 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.81 164.48 18.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -48.65 68.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -58.56 -36.43 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -69.26 129.86 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -68.02 105.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.2 pm0 -103.9 152.83 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.69 103.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 11.8 t-80 -88.85 117.24 27.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -152.98 126.0 8.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? 62.77 43.55 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 59.88 31.82 20.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 29' ' ' TRP . 43.9 mtt85 -130.24 -178.22 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -156.49 128.48 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.588 ' CZ2' ' HD3' ' A' ' 27' ' ' ARG . 31.2 m-90 -126.52 140.74 52.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.8 m170 -65.66 157.07 30.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -22.64 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.0 p -101.91 -15.87 16.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.66 -48.83 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -58.48 97.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HB2' ' C ' ' A' ' 41' ' ' HIS . 10.8 ptp85 -154.14 176.18 12.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 t -70.8 168.51 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.91 -13.81 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -99.98 -49.41 4.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.3 p -100.8 -11.99 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.4 mm? 60.6 49.41 6.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.615 ' O ' HD22 ' A' ' 43' ' ' LEU . 6.1 t60 -110.6 132.93 21.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.732 . . . . 0.0 110.828 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 111.87 2.91 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.691 2.261 . . . . 0.0 112.404 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.3 mm? -86.52 25.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.09 80.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -111.08 3.6 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -114.64 170.86 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 p -75.91 158.09 32.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -148.43 162.12 40.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.496 ' HB ' HG21 ' A' ' 61' ' ' THR . 98.7 t -139.97 137.25 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.33 108.62 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HE3' HG11 ' A' ' 49' ' ' VAL . 69.6 mttt -141.46 137.44 32.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 61.81 41.97 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 49.03 36.64 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -142.47 139.96 31.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -83.7 133.24 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.6 mt -144.2 164.57 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.652 ' O ' HG23 ' A' ' 61' ' ' THR . 16.2 p -106.91 170.17 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -63.68 -44.71 92.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -51.05 -37.53 46.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' THR . 60.7 m -84.08 -62.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 57' ' ' CYS . 70.5 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.884 0.285 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.74 154.97 35.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 91' ' ' HIS . 47.5 t -92.8 163.22 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.68 ' HB2' HG21 ' A' ' 88' ' ' THR . 0.5 OUTLIER -111.44 -30.35 7.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.91 -48.4 81.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.28 -13.95 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 40.3 m-85 63.73 50.8 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -123.65 143.31 50.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.8 123.76 14.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.472 HD11 ' O ' ' A' ' 89' ' ' VAL . 94.7 mt -81.61 149.33 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.7 t -103.63 144.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.4 -56.2 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.45 92.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.53 141.62 58.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.431 ' C ' ' OD1' ' A' ' 82' ' ' ASN . 8.1 mm100 -71.01 138.75 50.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -136.25 151.12 49.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 17.1 t -122.07 108.59 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.578 ' HB2' HG13 ' A' ' 89' ' ' VAL . 25.6 tt0 -86.86 118.72 26.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.89 62.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt 66.42 37.08 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.63 -77.18 0.23 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.68 HG21 ' HB2' ' A' ' 70' ' ' LYS . 2.8 m -80.18 148.76 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.578 HG13 ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -113.41 113.44 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.631 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 15.0 m95 -93.79 134.9 35.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 93' ' ' ASP . 39.4 m80 -51.48 127.56 20.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' HIS . 39.6 tptt -34.74 -31.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 91' ' ' HIS . 17.1 m-20 -78.75 -59.93 2.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 66.3 m -48.78 -33.24 9.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.2 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 14.6 t -89.32 151.76 21.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.523 HG13 ' NE1' ' A' ' 29' ' ' TRP . 1.0 OUTLIER -96.94 -13.64 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -93.93 -57.16 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' ARG . 26.2 p -97.08 14.86 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 31.5 42.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 22.3 mmtt -116.73 158.03 44.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD2' ' HD3' ' A' ' 13' ' ' LYS . 54.2 Cg_endo -69.74 135.45 30.53 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.381 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.44 HG12 ' NE2' ' A' ' 30' ' ' HIS . 52.6 mt -104.12 153.32 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' N ' HG22 ' A' ' 15' ' ' ILE . . . -108.93 146.46 16.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.49 -49.34 67.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -55.97 -33.4 64.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -73.3 143.25 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -73.67 104.54 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 2.3 pm0 -102.95 147.87 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.6 104.02 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 23' ' ' HIS . 6.6 t-160 -88.75 114.42 25.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -152.79 140.82 20.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 53.42 42.47 31.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' O ' ' CZ ' ' A' ' 27' ' ' ARG . 2.2 m120 59.65 27.4 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.599 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.5 mmp_? -128.59 -178.92 4.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.5 m-85 -154.01 124.31 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.599 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.9 m-90 -119.37 139.62 51.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.44 ' NE2' HG12 ' A' ' 15' ' ' ILE . 9.7 m80 -60.81 161.77 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' OD1' HG23 ' A' ' 32' ' ' THR . 1.4 p-10 -60.78 -12.71 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.426 HG23 ' OD1' ' A' ' 31' ' ' ASP . 75.1 p -113.95 -16.8 12.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.17 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.2 m -85.66 -38.41 18.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.26 100.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -157.99 174.59 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.83 169.21 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.72 -14.22 13.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -98.13 -50.99 4.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.0 -15.58 17.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mt 65.26 54.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 42' ' ' PRO . 17.3 t60 -119.22 134.3 23.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.823 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 53.3 Cg_endo -69.75 127.7 14.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.287 . . . . 0.0 112.306 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.517 ' N ' HD22 ' A' ' 43' ' ' LEU . 1.5 mm? -99.37 18.49 17.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.15 -62.25 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.19 -15.11 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -98.48 -179.1 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.7 m -92.72 151.2 20.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -134.47 161.98 33.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.4 t -133.76 134.01 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.63 111.22 23.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -139.23 148.28 42.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 44.51 42.03 5.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t30 52.18 42.24 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -144.58 145.0 31.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -92.17 126.79 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -141.5 160.2 40.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.3 p -104.29 156.45 17.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -47.69 -56.48 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -40.86 -41.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.4 m -78.66 -62.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.902 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.798 0.249 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -138.21 130.26 28.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.465 ' HA ' HD11 ' A' ' 76' ' ' ILE . 36.7 t -64.32 164.0 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.603 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 6.0 tmtm? -111.26 -28.31 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.5 -42.78 47.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -110.57 -23.95 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 71.83 43.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -116.28 152.56 33.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.82 117.07 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.568 HD13 ' CG2' ' A' ' 89' ' ' VAL . 81.1 mt -84.0 156.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.487 ' N ' HG22 ' A' ' 76' ' ' ILE . 59.1 t -124.57 144.89 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.98 66.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.7 -40.62 99.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.56 172.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.41 93.0 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.501 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -104.68 160.49 14.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 25.0 t -119.14 106.41 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.662 ' HG3' HG12 ' A' ' 89' ' ' VAL . 58.3 tt0 -88.92 134.05 34.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -128.11 -74.87 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -125.62 87.22 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.01 -46.54 2.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -101.78 151.74 21.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.662 HG12 ' HG3' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -122.03 126.3 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.603 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.7 m95 -100.91 132.06 46.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 90' ' ' TRP . 22.2 m170 -39.99 161.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -72.26 3.4 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -119.27 -33.29 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.46 -42.39 74.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 t -102.66 146.32 28.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.551 HG21 ' HD3' ' A' ' 27' ' ' ARG . 19.9 m -96.07 -6.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -56.68 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 8.2 p -105.49 13.69 29.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.34 34.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 41.6 mmtt -112.32 154.82 44.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.48 47.91 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.238 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.507 HG21 ' HB3' ' A' ' 21' ' ' GLU . 63.0 mt -106.46 144.31 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.52 145.5 18.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.52 80.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.42 -36.64 84.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -66.14 118.73 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -61.02 105.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.2 pt-20 -101.15 167.69 10.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.54 104.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.41 ' CD2' ' C ' ' A' ' 23' ' ' HIS . 7.1 t-160 -92.43 114.4 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.478 ' CE2' ' CE2' ' A' ' 48' ' ' PHE . 4.6 t80 -151.92 144.89 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 49.9 42.85 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 59.08 29.02 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.587 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 43.6 mtt85 -129.81 178.86 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -151.36 127.99 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.6 m-90 -124.68 141.0 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.417 ' NE2' HG12 ' A' ' 15' ' ' ILE . 23.0 m80 -63.85 159.77 18.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -59.89 -16.61 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.432 ' O ' ' NH2' ' A' ' 35' ' ' ARG . 28.6 p -108.44 -12.98 14.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.8 m -89.4 -50.42 6.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -56.34 101.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.523 ' HD2' HD12 ' A' ' 40' ' ' LEU . 5.9 ptp85 -160.19 159.52 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' O ' HD13 ' A' ' 40' ' ' LEU . 6.3 t -54.36 169.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.15 -16.61 13.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -96.71 -50.7 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -100.44 -11.92 19.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD12 ' HD2' ' A' ' 35' ' ' ARG . 3.8 mm? 57.55 53.57 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.703 ' O ' HD22 ' A' ' 43' ' ' LEU . 11.8 t60 -111.46 142.98 27.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 54.0 Cg_endo -69.74 111.5 2.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.4 mm? -89.42 24.0 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.38 94.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -111.66 4.39 18.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -116.16 159.52 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -74.24 152.36 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CE2' ' CE2' ' A' ' 24' ' ' TYR . 38.4 p90 -141.8 169.1 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.6 t -140.55 134.99 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.79 108.77 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -141.38 141.43 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 54.37 40.26 31.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 51.86 35.75 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -140.5 140.97 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.09 128.34 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.3 mt -139.35 158.96 43.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.414 ' O ' HG23 ' A' ' 61' ' ' THR . 18.3 p -100.56 157.19 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -50.47 -47.04 57.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -48.26 -49.25 34.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.1 m -70.79 -60.61 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 57' ' ' CYS . 64.5 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.848 0.27 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -134.42 162.89 30.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.0 t -105.34 165.2 11.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.3 tmtt? -114.65 -29.86 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -35.89 90.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.6 p -122.94 -26.03 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.1 t80 75.07 45.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -124.14 154.46 40.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.19 118.66 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.418 HD13 HG22 ' A' ' 89' ' ' VAL . 63.4 mt -84.59 145.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.9 t -103.47 145.42 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.2 -49.76 72.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.61 44.95 3.02 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 82' ' ' ASN . 29.3 m-20 -143.18 132.36 23.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -51.27 116.48 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 3.0 m-20 -136.86 160.83 37.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 19.9 t -121.1 108.76 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 2.9 tt0 -94.18 123.06 37.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 86' ' ' LYS . 32.7 t80 -144.97 131.34 19.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.436 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 19.6 tttm 48.14 43.38 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.4 -47.74 3.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.6 p -78.56 127.84 32.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 0.0 111.165 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -110.83 119.64 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.7 m95 -100.46 136.68 39.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.416 ' NE2' HG12 ' A' ' 76' ' ' ILE . 28.8 m80 -48.06 140.71 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -43.04 -31.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.22 -46.33 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 97.2 m -58.36 -42.07 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 36.7 t -89.33 144.33 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.793 HG11 ' HD2' ' A' ' 27' ' ' ARG . 21.3 m -97.64 -19.77 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -79.68 -52.79 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.72 -10.49 29.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 21.1 mmt85 61.27 29.69 18.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -109.58 154.21 42.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.11 44.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.68 HG21 ' HB3' ' A' ' 21' ' ' GLU . 59.1 mt -108.19 137.23 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.43 159.05 23.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.83 90.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -57.48 -37.08 72.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.5 m -70.4 138.82 51.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -78.05 102.79 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.68 ' HB3' HG21 ' A' ' 15' ' ' ILE . 18.6 pt-20 -99.88 150.61 22.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.7 t -107.49 105.71 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -88.71 114.88 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.402 ' CE2' ' HE2' ' A' ' 48' ' ' PHE . 4.1 t80 -152.67 134.51 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt 55.69 44.15 26.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 58.32 33.04 22.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.793 ' HD2' HG11 ' A' ' 9' ' ' VAL . 34.7 mmt180 -131.87 -179.58 5.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 14.9 m-85 -154.48 124.9 6.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.3 m-90 -123.07 144.26 49.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' NE2' HG12 ' A' ' 15' ' ' ILE . 11.9 m170 -64.98 160.1 21.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.45 -2.79 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.3 p -121.25 -15.98 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -87.3 -49.03 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -55.74 107.77 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.559 ' HD2' HD12 ' A' ' 40' ' ' LEU . 13.7 ptp180 -155.72 173.9 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -70.26 169.26 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.38 -15.55 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -97.56 -49.63 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.5 p -103.51 -10.88 18.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.559 HD12 ' HD2' ' A' ' 35' ' ' ARG . 3.6 mm? 59.46 53.8 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.5 ' O ' HD22 ' A' ' 43' ' ' LEU . 86.1 t60 -115.9 132.92 22.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.575 0.703 . . . . 0.0 110.854 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.7 Cg_endo -69.8 117.95 5.39 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.5 mm? -95.24 26.42 3.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.15 -44.33 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -102.31 -14.28 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -106.26 177.95 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 p -83.91 164.08 19.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.402 ' HE2' ' CE2' ' A' ' 24' ' ' TYR . 51.5 p90 -152.22 173.3 15.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.7 t -143.52 138.49 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.62 111.23 22.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -141.08 144.7 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t0 53.67 43.24 31.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 49.9 34.94 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -137.97 139.12 39.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.4 mm -86.54 129.34 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -143.47 167.04 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.6 p -106.84 161.9 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -55.06 -57.29 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -43.38 -37.3 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 30.7 m -76.19 -74.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.817 0.257 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 89' ' ' VAL . 22.2 mtpp -137.7 155.03 49.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 53.0 t -96.7 163.17 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 6.6 tptp -113.74 -29.21 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.21 -38.11 91.65 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 32.1 p -121.63 -11.92 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 69' ' ' CYS . 48.6 m-85 62.92 48.5 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -118.16 149.8 40.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.92 108.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.5 mt -72.27 133.36 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.83 144.3 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.82 -52.94 21.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.14 92.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.82 156.02 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -100.9 106.54 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.8 165.16 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 41.0 t -123.94 107.44 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.476 ' HB2' HG13 ' A' ' 89' ' ' VAL . 20.2 tt0 -80.31 106.37 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 84.9 t80 -108.67 96.9 6.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 19.6 mtpp 66.32 25.01 10.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.86 -53.79 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 p -74.88 125.76 29.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -94.22 142.22 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 8.7 m95 -130.3 130.41 44.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 92' ' ' LYS . 24.0 m80 -47.48 123.79 6.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 91' ' ' HIS . 16.8 tptp -32.89 -36.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 91' ' ' HIS . 7.4 m-20 -74.31 -51.86 13.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' HIS . 87.8 m -53.91 -39.62 65.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 28' ' ' PHE . 9.1 t -82.56 146.77 29.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -96.38 -3.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.0 -56.65 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 8.5 p -100.22 6.2 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 9.7 mmt180 47.74 26.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.814 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 10.5 mmtp -102.44 157.52 33.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 137.0 34.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 21' ' ' GLU . 75.0 mt -101.79 143.07 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.37 159.1 22.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -48.01 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -58.83 -34.96 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -70.03 130.7 42.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -77.11 103.78 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.504 ' HB3' HG21 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -98.74 167.02 11.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.428 HG11 ' CE2' ' A' ' 34' ' ' PHE . 47.7 t -123.71 106.74 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -91.29 117.77 29.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 61.4 t80 -151.26 121.58 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 25.1 mmmt 65.23 53.79 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 52.72 31.33 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.594 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 13.4 mmp_? -129.2 -178.58 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 18.5 m-85 -160.29 126.09 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 28.4 m-90 -122.58 141.79 51.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.9 m80 -63.4 163.66 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.07 -11.5 30.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.9 p -114.5 -13.83 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.2 m -90.1 -43.23 10.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CE2' HG11 ' A' ' 22' ' ' VAL . 21.8 t80 -61.75 98.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -157.28 177.4 11.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.6 t -72.12 163.99 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.58 -6.23 16.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.047 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -107.29 -43.71 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.93 -3.18 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.658 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.4 mm? 51.77 54.78 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -117.85 133.63 23.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.708 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 126.76 13.73 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.11 33.01 4.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.42 -47.01 82.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -113.46 -0.34 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -104.18 173.55 6.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -81.46 148.32 29.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -139.76 155.47 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.5 t -130.68 141.34 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.33 109.28 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -139.97 134.25 31.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 60.09 43.33 14.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 m120 49.34 35.26 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -140.47 128.99 22.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.5 mm -77.21 134.48 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -146.38 158.75 43.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.684 ' O ' HG23 ' A' ' 61' ' ' THR . 12.4 p -104.66 169.41 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -55.48 -55.53 30.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -38.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.4 m -82.32 -60.3 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 57' ' ' CYS . 53.1 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.85 0.271 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -129.2 165.85 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.0 t -106.93 167.33 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 15.9 tptm -115.95 -25.25 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.19 -42.66 35.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.2 p -120.03 -6.09 10.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.898 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 54.31 54.24 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -127.57 148.92 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.6 111.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.0 mt -73.19 133.04 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.2 t -87.02 138.17 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.91 -40.23 56.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.28 50.9 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -141.94 137.93 31.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.74 0.305 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -65.8 113.56 4.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.5 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -124.15 178.22 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.781 HG11 ' CD1' ' A' ' 95' ' ' PHE . 38.4 t -138.57 105.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 5.0 tt0 -94.43 128.3 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 12.7 t80 -117.11 68.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt 56.59 54.9 6.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.93 -82.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.2 p -78.07 125.59 29.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 111.199 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -114.22 134.51 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.5 m95 -116.79 145.87 43.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -52.52 142.15 18.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -39.63 -33.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -82.15 -46.44 13.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 93.6 m -57.52 -41.03 80.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.781 ' CD1' HG11 ' A' ' 83' ' ' VAL . 6.0 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 t -87.27 143.38 27.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.724 HG11 ' HD2' ' A' ' 27' ' ' ARG . 10.6 m -95.12 -15.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -82.2 -56.48 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -97.48 6.08 48.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 45.11 33.92 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -112.04 155.26 43.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 140.7 43.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.407 HG12 ' NE2' ' A' ' 30' ' ' HIS . 51.4 mt -104.83 138.37 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.31 -173.35 21.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.93 -43.39 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -89.89 22.64 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 m -104.53 131.95 51.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -63.55 104.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.27 165.6 12.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.436 HG21 ' CD2' ' A' ' 34' ' ' PHE . 52.2 t -125.02 105.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -91.87 117.76 30.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 35.8 t80 -152.43 133.77 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 15.1 mmmt 53.99 44.43 29.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 60.04 34.8 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.724 ' HD2' HG11 ' A' ' 9' ' ' VAL . 26.2 mmt85 -129.38 -179.11 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 16.0 m-85 -159.3 125.82 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.2 m-90 -125.4 139.64 53.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.3 m80 -63.99 151.95 41.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -15.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -109.2 -15.94 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.2 m -89.59 -43.71 10.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CD2' HG21 ' A' ' 22' ' ' VAL . 27.3 t80 -58.72 97.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.675 ' HE ' HD12 ' A' ' 40' ' ' LEU . 10.8 ptt-85 -156.9 164.93 37.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.14 165.62 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.06 -5.61 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -108.36 -48.45 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.79 -11.39 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.675 HD12 ' HE ' ' A' ' 35' ' ' ARG . 3.3 mm? 59.76 46.54 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.538 ' O ' HD22 ' A' ' 43' ' ' LEU . 23.2 t60 -107.7 140.19 21.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.43 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.82 124.57 11.18 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.617 2.211 . . . . 0.0 112.346 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.7 mm? -97.37 16.94 18.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.25 75.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -115.98 -1.42 12.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 47' ' ' THR . 8.7 tp10 -120.15 146.61 45.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 3.0 m -58.8 147.33 33.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 24' ' ' TYR . 44.3 p90 -128.24 163.58 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.682 HG11 ' HE2' ' A' ' 51' ' ' LYS . 97.7 t -133.1 133.33 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.77 108.74 20.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.682 ' HE2' HG11 ' A' ' 49' ' ' VAL . 42.9 mtmt -141.37 143.34 33.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 51.07 44.34 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 48.58 35.69 6.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -140.79 141.24 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.6 mm -86.7 132.08 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -147.75 158.69 44.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.6 p -102.04 150.71 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -48.46 -47.15 38.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -47.77 -36.04 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.33 -55.29 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.4 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.888 0.287 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -130.17 162.35 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.4 t -103.06 165.21 11.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.701 ' HB2' HG21 ' A' ' 88' ' ' THR . 10.2 tptm -112.16 -24.25 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.79 -37.71 33.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.2 p -119.86 -23.93 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.9 t80 71.55 47.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -125.22 153.02 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.14 120.33 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.1 mt -86.49 140.43 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 79' ' ' GLY . 22.2 t -97.67 142.14 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.74 84.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.424 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -85.66 40.94 3.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.4 137.48 30.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.72 0.295 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.19 126.83 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 2.5 p30 -142.85 170.39 15.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' TRP . 15.0 t -141.25 116.3 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.4 tt0 -107.33 137.4 45.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -128.41 -80.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -111.95 85.47 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.92 -49.02 1.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.701 HG21 ' HB2' ' A' ' 70' ' ' LYS . 3.8 m -90.18 153.54 20.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.337 . . . . 0.0 111.133 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -129.47 122.71 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.7 m95 -94.8 150.58 20.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 94' ' ' CYS . 27.0 m80 -64.54 139.65 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' HIS . 29.7 tptt -38.11 -31.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' HIS . 4.2 m-20 -84.14 -44.62 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 91' ' ' HIS . 83.7 m -59.47 -39.87 85.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.8 t -93.81 142.1 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.418 HG21 ' NE ' ' A' ' 27' ' ' ARG . 5.4 m -94.26 -1.2 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -98.81 -56.28 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 p -97.71 5.61 49.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 47.83 27.03 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -109.06 154.65 41.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 139.7 40.69 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.516 HG21 ' HB3' ' A' ' 21' ' ' GLU . 60.4 mt -99.12 137.89 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.63 152.72 44.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.51 -21.74 61.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.333 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.64 12.85 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 m -92.82 136.47 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 102.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HB3' HG21 ' A' ' 15' ' ' ILE . 2.8 pp20? -112.73 164.97 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.7 t -119.93 104.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -92.4 118.18 30.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -152.24 125.3 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? 60.57 44.64 11.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 60.98 36.19 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.566 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.0 mmm180 -129.01 -178.48 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 16.2 m-85 -161.57 121.05 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 29.9 m-90 -122.99 140.0 53.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 15' ' ' ILE . 22.5 m80 -66.28 153.25 43.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -15.24 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 t -108.21 -17.46 14.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.6 m -88.6 -43.8 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.73 106.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.2 ptt85 -163.46 175.98 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 t -66.69 167.42 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.01 -11.73 15.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 6.7 ttmt -105.91 -52.13 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.5 p -102.22 3.99 38.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mp 43.49 49.39 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -104.9 128.97 25.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.579 0.704 . . . . 0.0 110.845 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.528 ' C ' HD13 ' A' ' 43' ' ' LEU . 53.6 Cg_endo -69.76 126.78 13.72 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -111.27 27.27 9.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.74 -38.07 66.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -112.52 -2.91 14.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -109.68 176.64 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -87.67 148.97 24.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -135.08 160.24 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.4 t -128.02 128.79 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.33 109.4 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -138.19 138.82 38.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 53.84 42.57 31.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.3 m120 51.24 37.89 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -141.33 129.92 22.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -79.71 125.19 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -138.2 156.56 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.97 165.77 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -57.44 -35.98 70.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -57.98 -47.7 82.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 38' ' ' LYS . 88.9 m -70.91 -57.44 4.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.844 0.268 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -130.69 160.7 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.2 t -99.94 163.76 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.6 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 5.6 tmtt? -118.82 -21.42 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.88 -35.58 49.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.0 p -127.71 -13.79 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.368 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 64.67 54.87 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -129.49 151.32 50.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.19 122.75 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.528 HD13 HG22 ' A' ' 89' ' ' VAL . 58.0 mt -89.87 141.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG12 ' H ' ' A' ' 79' ' ' GLY . 26.3 t -104.53 146.46 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.41 83.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.569 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -84.22 35.92 2.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 6.4 m-20 -144.18 130.1 19.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 81' ' ' GLN . 2.4 mp0 -51.16 127.52 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 80' ' ' ASP . 6.3 m-20 -141.07 161.79 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.086 HG11 ' CD2' ' A' ' 95' ' ' PHE . 20.7 t -121.77 107.94 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 18.4 tt0 -93.07 123.97 36.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -145.0 127.92 16.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt 50.99 40.39 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.73 -48.72 3.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.3 p -77.85 129.98 36.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.528 HG22 HD13 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -111.88 124.34 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.8 m95 -104.51 141.78 35.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 94' ' ' CYS . 30.2 m80 -53.24 134.53 39.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 91' ' ' HIS . 30.2 tptt -33.89 -33.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' HIS . 3.6 p30 -83.3 -45.28 13.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 91' ' ' HIS . 85.2 m -61.13 -34.39 74.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.086 ' CD2' HG11 ' A' ' 83' ' ' VAL . 14.2 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 15.2 t -108.31 144.45 35.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.605 ' CG2' ' NE1' ' A' ' 29' ' ' TRP . 20.5 m -95.12 -2.72 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -55.61 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 p -107.06 12.74 28.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 1.6 mpt_? 45.26 35.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -113.12 155.5 44.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.686 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.15 44.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 21' ' ' GLU . 66.2 mt -104.38 126.56 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.22 175.42 52.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.09 -43.66 19.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -33.54 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 p -68.16 140.3 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 103.61 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.551 ' HB3' HG21 ' A' ' 15' ' ' ILE . 4.8 pt-20 -98.47 161.69 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.75 106.43 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 6.4 t-160 -91.06 121.37 32.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -152.81 130.49 11.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.39 46.29 23.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 59.47 36.34 23.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.588 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 14.3 mmm-85 -131.91 -177.86 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 13.5 m-85 -159.09 126.25 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.605 ' NE1' ' CG2' ' A' ' 9' ' ' VAL . 32.8 m-90 -125.48 144.49 50.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.8 m80 -68.2 161.47 27.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -62.56 -16.34 55.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.7 p -114.96 10.45 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.169 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 55.8 m -114.0 -35.55 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -72.02 104.82 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 2.5 ptp180 -155.73 175.74 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.8 t -69.02 164.49 22.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.71 -9.64 16.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -105.41 -48.3 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.1 p -102.74 -11.13 18.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.548 ' N ' HD22 ' A' ' 40' ' ' LEU . 2.6 mm? 59.25 53.29 5.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.513 ' O ' HD22 ' A' ' 43' ' ' LEU . 21.6 t60 -118.56 137.23 24.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 126.17 13.0 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.387 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.513 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.9 mm? -104.01 27.95 7.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -59.03 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -85.27 -18.69 33.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 43' ' ' LEU . 16.8 mm-40 -102.79 174.22 5.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -81.94 148.85 28.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' HB3' ' CB ' ' A' ' 43' ' ' LEU . 50.6 p90 -126.09 162.48 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.545 HG12 ' HD3' ' A' ' 51' ' ' LYS . 94.2 t -132.0 138.22 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 51' ' ' LYS . . . -123.08 109.81 14.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HD3' HG12 ' A' ' 49' ' ' VAL . 1.1 mptm? -139.37 123.81 18.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 72.47 41.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 53.62 34.03 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -137.31 129.51 29.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.94 132.61 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -146.81 170.03 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.607 ' O ' HG23 ' A' ' 61' ' ' THR . 7.7 p -110.65 167.62 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.11 -45.62 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -32.53 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 33.2 m -86.39 -57.28 3.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 57' ' ' CYS . 71.0 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.869 0.279 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -139.45 158.49 44.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.0 t -94.94 166.04 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 19.8 tptt -114.29 -25.67 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.28 29.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.61 -13.42 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 61.77 46.72 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -116.53 157.74 24.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.57 119.14 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 83.6 mt -84.74 150.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.1 t -122.13 146.26 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.17 -62.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.98 -42.05 60.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.76 109.44 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -43.92 139.59 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.483 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 1.0 OUTLIER -144.25 173.99 11.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 22.1 t -135.4 107.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.5 tt0 -95.04 130.92 41.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.441 ' CD1' ' HG2' ' A' ' 86' ' ' LYS . 4.0 t80 -119.76 74.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.441 ' HG2' ' CD1' ' A' ' 85' ' ' TYR . 7.9 mmtm 51.23 54.99 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.7 -82.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -77.99 129.57 35.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -116.97 129.42 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.6 m95 -110.1 148.8 31.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -56.8 143.39 37.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -46.31 -30.9 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -83.01 -44.97 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 99.4 m -60.3 -38.84 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.1 t -96.1 144.54 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.679 HG11 ' HD3' ' A' ' 27' ' ' ARG . 12.7 m -95.11 0.05 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -105.11 -55.56 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -96.46 2.02 52.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 47.67 31.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -112.43 157.57 39.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.24 44.63 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -106.12 144.32 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.66 172.01 30.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.12 -48.66 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.332 . . . . 0.0 111.081 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.72 -32.39 73.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 p -66.58 124.81 23.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -61.28 101.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -103.64 155.62 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.699 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.9 t -117.8 103.72 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -88.88 113.42 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 9.5 t80 -151.95 128.65 10.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 10.8 mmmm 61.99 47.11 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 57.29 25.69 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.679 ' HD3' HG11 ' A' ' 9' ' ' VAL . 38.4 mtt180 -124.02 179.76 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 14.6 m-85 -155.69 128.08 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.0 m-90 -123.86 142.18 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -66.46 158.32 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -58.23 -12.13 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 p -113.37 -14.58 12.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.2 m -91.81 -36.52 13.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CD2' HG21 ' A' ' 22' ' ' VAL . 31.3 t80 -69.64 99.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -155.04 -179.22 7.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.12 168.88 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.95 -14.08 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -103.67 -40.15 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.7 p -110.53 -11.72 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mp 60.2 40.44 18.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.44 ' O ' HD22 ' A' ' 43' ' ' LEU . 77.5 t60 -100.78 136.79 19.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.823 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.9 Cg_endo -69.78 125.0 11.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.44 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.5 mm? -101.15 13.64 34.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.24 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -97.46 -12.74 22.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -102.83 -178.14 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.6 p -88.44 154.81 20.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -136.55 160.36 39.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.2 t -135.67 126.92 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.48 109.19 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -139.64 149.14 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 42.61 43.06 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 52.6 40.06 29.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -145.27 127.06 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -80.33 132.69 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.0 mt -142.87 162.48 35.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.5 p -104.81 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -70.41 -41.6 72.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -56.42 -30.65 63.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.6 m -91.89 -63.63 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.876 0.282 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.18 155.35 38.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.5 t -98.47 165.61 11.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 18.4 tptp -115.12 -22.54 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.93 -38.41 56.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.1 p -122.7 -18.41 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.4 t80 72.12 50.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -130.07 156.92 43.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.36 126.88 28.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.412 HG12 ' NE2' ' A' ' 91' ' ' HIS . 52.1 mt -95.39 138.46 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.6 t -102.78 149.78 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.44 -60.23 4.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.03 -37.09 7.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.56 163.63 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.489 ' HG3' ' CB ' ' A' ' 92' ' ' LYS . 5.3 pm0 -86.12 139.6 30.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.42 164.01 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 34.7 t -129.98 106.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 2.2 mt-10 -87.13 133.14 33.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -148.09 108.26 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.2 mttm 61.41 39.64 14.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.24 -50.78 1.88 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 p -79.04 128.71 33.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.08 150.06 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.572 ' CZ2' ' HB3' ' A' ' 70' ' ' LYS . 8.9 m95 -131.6 140.18 49.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' CYS . 27.3 m80 -49.99 132.53 23.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 81' ' ' GLN . 45.0 tptt -34.33 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' HIS . 1.4 m-20 -84.1 -44.63 13.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 91' ' ' HIS . 36.2 m -58.01 -44.13 87.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 14.7 t -101.13 150.78 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.669 HG11 ' HE ' ' A' ' 27' ' ' ARG . 21.6 m -99.57 -10.76 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -86.66 -57.85 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 14.3 p -102.36 9.87 39.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 20.5 mmt85 45.31 35.18 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 21.3 mmtm -111.35 156.59 40.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 141.67 46.17 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.584 HG21 ' CB ' ' A' ' 21' ' ' GLU . 72.4 mt -106.02 133.04 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.2 151.63 23.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.01 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.731 0.3 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.82 -36.97 70.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -72.43 128.22 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -59.21 105.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.584 ' CB ' HG21 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -105.0 156.41 18.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.8 t -114.77 155.23 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.426 ' N ' HG12 ' A' ' 22' ' ' VAL . 7.2 t-160 -140.12 114.18 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.46 141.72 20.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm 49.79 47.24 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 55.54 31.23 16.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.669 ' HE ' HG11 ' A' ' 9' ' ' VAL . 13.3 mtp85 -128.12 179.77 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 42.8 m-85 -154.88 131.37 10.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.7 m-90 -126.02 150.58 47.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.467 ' CD2' HG12 ' A' ' 15' ' ' ILE . 15.7 m80 -72.22 160.53 32.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -60.39 -15.56 27.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.2 p -109.42 -17.09 13.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.2 m -88.14 -44.7 10.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CD2' HG21 ' A' ' 22' ' ' VAL . 22.6 t80 -60.42 102.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' A' ' 40' ' ' LEU . 10.0 ptp85 -158.48 -179.98 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 t -71.57 170.33 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.64 -18.25 13.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -98.77 -46.4 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -100.41 -15.82 17.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 3.7 mm? 61.13 52.39 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.742 ' O ' HD22 ' A' ' 43' ' ' LEU . 7.6 t60 -117.41 142.04 29.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.711 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.502 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 53.0 Cg_endo -69.86 118.75 5.86 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.742 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.9 mm? -98.28 23.36 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.99 -58.32 8.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -90.38 -11.65 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -102.65 169.22 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.3 m -93.14 146.37 23.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -131.16 -179.54 5.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 51' ' ' LYS . 46.6 t -142.36 125.39 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.04 108.67 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' HE3' ' CG1' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -141.09 132.48 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 62.3 39.13 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 53.07 36.3 21.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -141.22 134.13 29.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.0 mm -82.87 129.67 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -140.65 152.28 45.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.3 p -96.58 153.17 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -39.56 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -57.83 -36.26 72.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.7 m -87.42 -55.65 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.447 HG21 ' HB ' ' A' ' 49' ' ' VAL . 62.6 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.841 0.267 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.46 153.44 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 11.1 t -101.56 169.11 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 2.8 tmtt? -114.94 -33.84 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.01 -35.28 90.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.6 p -122.03 -18.26 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 69' ' ' CYS . 22.3 m-85 63.04 49.67 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -125.82 162.35 25.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.18 101.1 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.455 ' CG2' ' OD1' ' A' ' 82' ' ' ASN . 57.9 mt -64.93 143.86 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 78' ' ' ALA . 88.4 t -108.87 153.45 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -58.37 -60.87 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.94 -41.54 68.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.01 139.17 58.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -61.6 144.99 53.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.455 ' OD1' ' CG2' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -153.08 154.28 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.587 HG11 ' CD2' ' A' ' 95' ' ' PHE . 21.8 t -124.95 107.73 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.8 tt0 -96.87 127.48 42.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 86' ' ' LYS . 4.0 t80 -114.67 -78.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' A' ' 85' ' ' TYR . 3.5 mtpm? -131.08 84.97 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.59 -35.91 2.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.528 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.2 p -107.56 129.15 55.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -112.47 122.47 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 70' ' ' LYS . 3.1 m95 -103.53 140.7 37.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 92' ' ' LYS . 26.2 m80 -56.16 140.98 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 91' ' ' HIS . 1.9 tppp? -33.63 -38.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 91' ' ' HIS . 6.9 t0 -78.11 -48.8 15.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' HIS . 72.6 m -57.8 -43.97 86.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.587 ' CD2' HG11 ' A' ' 83' ' ' VAL . 15.3 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.3 t -87.21 144.75 26.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.753 HG11 ' HD2' ' A' ' 27' ' ' ARG . 5.0 m -95.01 -18.31 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -84.3 -56.35 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.2 p -92.61 2.9 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 46.46 25.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -105.46 154.04 39.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.544 0.688 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.18 47.41 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.435 HG12 ' NE2' ' A' ' 30' ' ' HIS . 28.3 mt -109.22 145.97 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.59 -173.06 38.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.62 -41.38 10.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 0.0 111.078 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.91 -32.16 73.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 p -72.18 141.01 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -78.32 101.64 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -98.6 156.66 16.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.57 103.68 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -89.83 117.96 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 11.9 t80 -151.93 147.03 26.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 8.0 mmpt? 40.11 46.79 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 58.39 37.61 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.753 ' HD2' HG11 ' A' ' 9' ' ' VAL . 22.3 mmt180 -132.0 -178.69 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 15.5 m-85 -159.27 122.38 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.9 m-90 -124.28 141.83 51.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.435 ' NE2' HG12 ' A' ' 15' ' ' ILE . 13.9 m80 -64.74 163.35 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -15.62 33.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.1 t -110.4 -14.18 14.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.0 m -87.82 -46.89 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -59.92 109.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -166.82 172.67 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.8 t -66.94 164.73 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.19 -10.37 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -103.86 -44.5 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.8 p -104.64 -18.25 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 mt 66.32 49.98 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.577 ' O ' HD22 ' A' ' 43' ' ' LEU . 79.6 t60 -112.9 136.12 21.66 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.429 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.3 Cg_endo -69.76 118.91 5.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.6 mm? -98.35 32.49 2.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -49.99 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -108.85 -2.77 18.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -101.63 168.83 9.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -91.44 149.11 21.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -137.15 178.8 6.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.63 135.4 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.47 110.15 22.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -141.07 149.49 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.81 46.2 3.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 47.11 42.71 13.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -145.34 139.05 26.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.4 mm -87.59 127.93 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.6 mt -142.6 153.86 43.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.407 ' O ' HG23 ' A' ' 61' ' ' THR . 13.6 p -96.99 171.03 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -59.69 -50.73 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -46.99 -43.12 19.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.0 m -75.63 -64.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 57' ' ' CYS . 75.9 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.843 0.268 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -131.65 163.73 27.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.0 t -108.46 164.93 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 4.9 tptp -111.12 -24.66 10.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.42 ' N ' ' CE3' ' A' ' 90' ' ' TRP . . . -75.12 -41.72 31.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.85 -16.41 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' A' ' 70' ' ' LYS . 33.1 m-85 65.36 51.19 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -131.49 152.99 50.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.39 109.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 91.1 mt -70.65 132.63 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 80' ' ' ASP . 48.1 t -82.37 144.36 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.81 -56.69 18.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.6 43.84 2.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.409 ' CG ' ' HB ' ' A' ' 77' ' ' VAL . 1.2 m-20 -133.33 163.44 29.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -76.3 124.88 28.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.474 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -143.48 160.13 41.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.443 ' C ' HG23 ' A' ' 89' ' ' VAL . 21.7 t -127.8 108.05 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 4.6 tt0 -99.31 127.5 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' A' ' 86' ' ' LYS . 3.5 t80 -114.55 -77.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.537 ' HG3' ' CE1' ' A' ' 85' ' ' TYR . 51.3 mttm -132.24 87.79 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.13 -39.91 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 p -105.32 126.39 52.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.089 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -111.26 123.08 66.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.3 m95 -104.19 141.04 36.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -49.16 160.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -66.44 -6.64 15.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.71 -27.85 9.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.3 m -77.71 -39.28 45.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 t -104.03 146.61 28.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.8 HG11 ' NE ' ' A' ' 27' ' ' ARG . 12.1 m -95.52 -7.5 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -91.42 -56.0 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ARG . 13.7 p -103.22 15.84 28.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER 36.85 39.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -116.52 158.1 44.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.42 47.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' A' ' 21' ' ' GLU . 88.4 mt -105.91 139.8 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.61 165.4 23.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.92 54.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.45 -33.57 75.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.7 m -67.14 123.04 19.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -61.11 104.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HB3' HG21 ' A' ' 15' ' ' ILE . 3.7 pt-20 -109.09 161.62 15.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.1 t -124.46 104.86 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CD2' ' CE2' ' A' ' 28' ' ' PHE . 6.2 t-160 -89.12 110.86 21.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -151.73 146.1 25.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 6.5 mtmp? 49.18 53.77 12.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER 48.76 26.89 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.8 ' NE ' HG11 ' A' ' 9' ' ' VAL . 5.7 mmm180 -130.59 177.15 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.434 ' CE2' ' CD2' ' A' ' 23' ' ' HIS . 13.2 m-85 -150.57 131.11 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.9 m-90 -125.14 145.47 49.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -66.89 169.61 7.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -4.85 20.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 t -123.62 -10.44 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 65.1 m -94.12 -29.14 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -79.49 107.65 12.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.498 ' HD3' ' CD1' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -156.78 -177.0 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.425 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 40.1 t -79.9 129.5 34.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.86 13.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HD3' HD22 ' A' ' 56' ' ' LEU . 16.0 mtpp -121.09 -44.27 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.31 -2.29 13.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.498 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 3.6 mm? 56.75 53.49 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.5 ' O ' HD22 ' A' ' 43' ' ' LEU . 55.9 t60 -121.13 135.23 24.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.873 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 122.63 9.3 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.7 mm? -97.85 19.8 13.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.55 -39.23 64.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -115.75 -3.39 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.445 ' CG ' HD12 ' A' ' 43' ' ' LEU . 5.7 tp10 -115.51 149.44 38.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.1 p -46.03 156.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -148.58 147.71 29.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG12 ' HD3' ' A' ' 51' ' ' LYS . 39.8 t -130.93 150.04 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.53 120.15 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HD3' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -136.44 138.06 41.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 49.03 37.86 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m120 63.32 34.68 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -134.87 133.61 39.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.3 mm -82.21 134.95 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.572 HD22 ' HD3' ' A' ' 38' ' ' LYS . 97.6 mt -147.84 173.09 13.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.993 ' O ' HG23 ' A' ' 61' ' ' THR . 1.9 p -110.17 167.35 10.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -64.71 -45.02 88.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -24.29 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.426 ' HB3' ' CE ' ' A' ' 38' ' ' LYS . 18.9 m -95.45 -48.69 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.993 HG23 ' O ' ' A' ' 57' ' ' CYS . 34.7 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.847 0.27 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -120.97 154.24 36.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.7 t -97.08 165.69 11.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 1.5 tmtm? -114.22 -22.54 9.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.58 -39.97 48.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.2 p -124.49 -13.91 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 63.69 54.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -131.24 152.19 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.13 116.33 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.489 HD13 HG22 ' A' ' 89' ' ' VAL . 30.2 mt -81.93 138.58 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.52 143.27 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' GLY . . . -52.0 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' ALA . . . -37.57 -38.62 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.02 143.61 57.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.301 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.419 ' CD ' ' HG2' ' A' ' 92' ' ' LYS . 6.7 pt20 -77.86 131.01 37.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -139.78 166.36 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 24.8 t -123.29 108.54 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 20.3 tt0 -90.23 122.73 33.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -146.41 126.86 14.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt 52.69 42.22 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.24 -46.63 3.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.8 p -80.16 128.24 33.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -109.41 123.73 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.58 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 11.7 m95 -104.8 134.4 47.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 93' ' ' ASP . 25.3 m80 -46.42 134.52 9.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HG2' ' CD ' ' A' ' 81' ' ' GLN . 46.2 tptt -42.92 -22.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 91' ' ' HIS . 14.1 t70 -92.86 -39.05 11.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 m -62.69 -39.07 92.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.6 t -99.51 144.67 28.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.896 HG11 ' HD2' ' A' ' 27' ' ' ARG . 12.3 m -93.62 -9.8 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.73 -54.32 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' LYS . 21.1 p -101.41 17.49 22.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 31.71 36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 11' ' ' CYS . 19.4 mttt -114.65 159.22 37.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.75 46.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.417 HG12 ' NE2' ' A' ' 30' ' ' HIS . 67.2 mt -106.59 144.45 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.79 160.36 20.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.59 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 0.3 OUTLIER -69.73 -29.96 67.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 p -70.8 133.16 46.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -64.19 104.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -105.37 148.76 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -117.19 106.06 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.35 114.7 27.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -150.81 121.99 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER 65.19 45.67 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.3 m120 59.39 28.06 17.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.896 ' HD2' HG11 ' A' ' 9' ' ' VAL . 38.6 mmt180 -122.34 -179.11 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 20.2 m-85 -159.88 124.43 3.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.3 m-90 -125.03 144.73 50.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.417 ' NE2' HG12 ' A' ' 15' ' ' ILE . 22.2 m80 -69.02 156.3 38.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -13.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 p -110.32 -18.91 13.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.6 m -86.51 -45.42 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -59.05 100.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -158.21 173.79 16.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 t -67.29 166.5 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.62 -7.39 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -106.07 -48.1 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.9 p -103.35 -12.46 17.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.3 mt 61.12 54.11 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -117.17 135.12 23.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 110.818 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 123.0 9.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.285 . . . . 0.0 112.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.06 31.42 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.2 -42.63 86.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.65 -2.21 13.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -104.41 174.03 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.9 m -86.99 150.77 23.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -141.09 174.78 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.0 t -146.5 136.15 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.86 20.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -141.05 150.04 42.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 t70 49.23 37.03 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.9 t30 52.88 36.08 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -141.43 132.84 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -76.78 126.31 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.0 mt -138.46 155.54 48.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 61' ' ' THR . 18.9 p -99.05 174.23 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -64.98 -42.47 94.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -53.76 -42.87 68.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.6 m -76.43 -59.27 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 57' ' ' CYS . 68.6 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.847 0.27 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -137.88 159.61 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.1 t -101.23 164.83 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 1.8 tmtt? -116.26 -27.7 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.35 95.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.2 p -124.61 -21.59 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.5 t80 73.59 52.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -128.09 151.73 48.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.61 123.02 13.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.1 mt -86.51 136.96 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.27 145.5 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.27 -58.57 7.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.64 -41.49 42.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.84 113.92 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.735 0.302 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -51.5 131.48 29.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.497 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.4 OUTLIER -130.61 169.0 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 17.7 t -125.76 108.42 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 9.1 tt0 -94.92 124.05 38.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.585 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 86.8 t80 -143.87 106.8 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.585 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 2.8 mtpm? 65.79 54.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.31 -49.48 3.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -78.96 125.82 29.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 111.085 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -113.76 120.94 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 7.7 m95 -101.22 143.85 30.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -52.14 143.32 14.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -44.56 -28.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -88.32 -47.99 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 44.2 m -55.58 -42.57 74.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.1 t -97.87 144.07 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -96.05 -14.72 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.65 -56.52 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -91.02 -8.14 49.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 58.66 27.87 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -110.37 156.52 40.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.98 52.56 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.444 HG12 ' NE2' ' A' ' 30' ' ' HIS . 70.3 mt -111.09 146.41 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.03 157.05 19.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.472 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.9 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -56.68 -30.58 63.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -81.78 129.97 34.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -65.33 104.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.34 171.22 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.501 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.9 t -121.43 103.93 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -90.49 113.99 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -152.06 132.91 14.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.71 44.92 13.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 57.45 28.78 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.512 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 17.9 mtm180 -128.94 -179.2 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -155.59 131.72 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.0 m-90 -125.31 149.28 48.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' NE2' HG12 ' A' ' 15' ' ' ILE . 14.5 m80 -71.6 156.83 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -11.25 2.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.6 p -112.91 -16.65 12.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.0 m -89.65 -46.87 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CD2' HG21 ' A' ' 22' ' ' VAL . 27.4 t80 -55.89 103.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.496 ' NE ' HD12 ' A' ' 40' ' ' LEU . 17.4 ptt180 -160.13 168.11 26.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 t -61.79 168.96 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.25 -10.18 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -104.57 -46.37 4.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.35 -8.36 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.496 HD12 ' NE ' ' A' ' 35' ' ' ARG . 4.3 mm? 58.25 43.87 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.536 ' CD2' ' HD2' ' A' ' 42' ' ' PRO . 3.5 t60 -105.8 130.44 23.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.857 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.536 ' HD2' ' CD2' ' A' ' 41' ' ' HIS . 53.7 Cg_endo -69.71 122.66 9.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.479 HD12 ' HG2' ' A' ' 46' ' ' GLU . 1.3 mm? -95.01 15.75 18.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.4 -37.49 62.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -115.83 -6.1 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HG2' HD12 ' A' ' 43' ' ' LEU . 4.2 tt0 -116.21 152.45 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 23.9 p -57.73 148.62 24.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 8.6 p90 -131.27 158.8 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 50' ' ' ALA . 96.9 t -131.78 152.01 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -118.02 108.62 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -141.21 144.51 34.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 55.65 43.86 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 47.96 35.67 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -146.95 147.28 30.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.4 128.27 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.9 mt -141.21 151.96 44.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.0 p -98.69 155.75 17.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 1.1 p30 -45.76 -55.35 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -41.67 -36.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' THR . 68.5 m -84.43 -70.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' CYS . 17.4 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.807 0.253 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -131.1 151.37 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.2 t -97.9 165.76 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.3 tmtt? -115.3 -22.67 9.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.08 -37.06 56.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.1 p -125.66 -12.71 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 62.98 53.76 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -135.42 151.29 50.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.64 126.72 28.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 91' ' ' HIS . 45.9 mt -89.27 137.74 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.17 144.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.54 -59.88 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.62 50.0 3.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 81' ' ' GLN . 6.7 m-20 -141.38 112.06 7.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 80' ' ' ASP . 3.2 mp0 -36.28 120.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 80' ' ' ASP . 0.4 OUTLIER -136.74 159.82 40.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 19.5 t -121.63 107.87 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 3.3 tt0 -95.34 122.22 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.552 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 87.7 t80 -142.1 130.02 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.552 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 15.2 mtpp 48.89 41.85 19.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.94 -49.29 3.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.8 p -77.83 127.44 32.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -111.37 124.65 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.3 m95 -105.01 141.68 36.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 93' ' ' ASP . 23.9 m80 -50.94 135.73 24.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 91' ' ' HIS . 8.3 tptp -36.03 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 91' ' ' HIS . 13.5 m-20 -87.33 -44.86 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' HIS . 18.7 m -56.58 -45.2 81.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.0 t80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 p -87.34 -21.8 25.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.894 0.378 . . . . 0.0 110.894 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 m -133.07 -47.61 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.76 86.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -138.6 111.51 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.841 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -48.37 125.04 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.86 173.89 16.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.8 t -93.1 145.98 24.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.5 m -96.71 -14.02 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.25 -56.14 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.2 p -94.46 -1.93 52.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 52.64 29.96 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -111.22 156.5 40.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 141.3 44.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.42 HG12 ' NE2' ' A' ' 30' ' ' HIS . 72.4 mt -104.68 138.91 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.77 173.15 52.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -44.02 21.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 111.077 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.72 -36.45 75.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.0 p -59.6 120.17 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -68.55 105.29 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -106.25 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.6 t -123.52 106.21 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -90.51 117.94 29.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.599 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 18.6 t80 -152.6 136.91 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 10.3 mmpt? 51.77 46.81 25.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 57.95 33.45 23.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.588 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.6 mtt85 -129.96 -178.49 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.463 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 22.5 m-85 -158.92 127.54 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.588 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.1 m-90 -125.37 139.55 53.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.7 m80 -65.27 151.05 47.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -50.66 -18.05 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.3 t -105.48 -16.48 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.5 m -88.83 -46.66 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 34.1 t80 -59.61 104.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.548 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 18.4 ptt180 -163.73 168.57 19.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.15 167.32 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.68 -9.97 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -104.48 -48.37 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.0 p -103.98 -9.24 19.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.548 HD12 ' CZ ' ' A' ' 35' ' ' ARG . 2.0 mm? 57.59 48.71 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -107.18 132.06 21.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 116.28 4.49 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 1.7 mm? -86.94 25.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.0 79.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -115.66 -6.96 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG2' HD12 ' A' ' 43' ' ' LEU . 2.5 tt0 -120.22 148.08 44.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.446 ' OG1' ' ND2' ' A' ' 58' ' ' ASN . 22.3 p -51.45 166.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -145.55 164.01 32.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.705 HG12 ' HD3' ' A' ' 51' ' ' LYS . 38.8 t -141.39 131.84 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.41 113.51 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.705 ' HD3' HG12 ' A' ' 49' ' ' VAL . 2.0 mptm? -135.82 137.63 41.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 55.61 43.14 28.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 55.3 39.6 31.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -141.75 134.46 28.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.0 mm -87.06 131.67 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -147.72 159.67 43.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.831 ' O ' HG23 ' A' ' 61' ' ' THR . 18.7 p -98.78 164.91 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.446 ' ND2' ' OG1' ' A' ' 47' ' ' THR . 1.7 p30 -62.09 -33.81 75.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -62.0 -31.06 71.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.1 m -91.56 -45.14 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.831 HG23 ' O ' ' A' ' 57' ' ' CYS . 73.7 p -38.75 -44.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 t -48.11 175.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.67 56.43 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 1.2 pp20? -120.21 35.28 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -118.61 81.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.6 m -44.25 161.62 0.21 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.655 0.74 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 147.07 62.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -129.33 143.94 51.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.3 t -78.16 167.21 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.0 tmtm? -114.93 -23.13 9.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.03 -33.7 28.81 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.54 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.5 p -123.79 -17.14 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 62.11 48.91 4.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -118.79 147.73 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.61 113.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.562 HD13 ' CG2' ' A' ' 89' ' ' VAL . 90.7 mt -81.95 152.83 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.42 ' N ' HG22 ' A' ' 76' ' ' ILE . 59.4 t -122.96 145.2 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.87 -58.48 7.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.41 -40.68 92.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.61 154.13 7.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.832 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -80.89 124.51 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.442 ' OD1' HG23 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -139.53 159.93 41.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.705 HG11 ' CD2' ' A' ' 95' ' ' PHE . 29.7 t -122.16 108.39 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.666 ' HG3' HG12 ' A' ' 89' ' ' VAL . 36.0 tt0 -92.16 133.36 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 24.4 t80 -126.34 -77.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 21.1 mtpp -123.65 87.73 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.98 -46.39 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.413 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.543 HG21 ' HB2' ' A' ' 70' ' ' LYS . 1.9 m -100.73 148.99 24.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.666 HG12 ' HG3' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -122.18 128.32 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.8 m95 -100.78 135.62 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -46.78 144.85 2.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -38.43 -36.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.44 -56.17 4.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 72.6 m -48.34 -34.5 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.705 ' CD2' HG11 ' A' ' 83' ' ' VAL . 15.4 t80 -82.76 121.48 26.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -108.43 78.84 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -68.29 150.94 51.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.55 3.42 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.0 p -47.11 -24.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.1 m -165.99 163.01 18.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.48 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m 60.44 44.26 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -59.9 -43.21 94.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.58 -34.99 62.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m 58.37 45.58 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.91 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m -137.85 175.32 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.04 166.01 38.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.0 t -88.62 149.73 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 m -96.73 -23.0 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 2.7 tm-20 -79.57 -55.96 4.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' ARG . 23.7 p -95.34 9.13 41.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' CYS . 5.0 mtm105 37.6 32.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' CYS . 16.4 mttm -111.87 158.9 35.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 138.41 37.63 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.34 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.433 HG12 ' NE2' ' A' ' 30' ' ' HIS . 61.5 mt -103.28 149.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -109.39 151.2 17.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.49 95.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.338 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -56.45 -34.09 66.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 m -81.59 121.13 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 104.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -99.01 174.51 6.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.9 t -130.47 106.54 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -94.22 121.79 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.583 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 19.2 t80 -152.6 134.41 14.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 40.7 mmtt 51.66 46.31 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 60.29 37.98 20.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.574 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 7.8 mmm180 -131.08 -178.31 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.4 m-85 -161.2 122.2 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.6 m-90 -125.26 139.02 54.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' NE2' HG12 ' A' ' 15' ' ' ILE . 15.6 m80 -65.31 158.97 24.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -19.55 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -105.83 -13.3 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.9 m -90.31 -45.8 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -62.02 104.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -159.91 172.93 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.9 t -67.64 167.58 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.18 -18.35 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.052 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -97.09 -44.56 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.1 p -103.0 -21.07 13.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mt 67.11 54.97 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.534 ' O ' HD22 ' A' ' 43' ' ' LEU . 12.9 t60 -118.36 138.34 25.59 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.521 0.677 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.87 2.41 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.3 mm? -84.61 27.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.42 -61.88 2.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -82.64 -20.17 36.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -101.18 174.77 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -87.81 163.89 16.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -136.4 165.82 24.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.5 t -136.73 122.75 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.23 111.56 23.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -140.17 141.95 35.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 51.46 39.53 24.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 53.81 41.99 31.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -146.34 130.31 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -78.01 129.01 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt -146.41 157.65 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.446 ' O ' HG23 ' A' ' 61' ' ' THR . 16.5 p -99.91 161.39 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -50.24 -41.84 50.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -53.54 -53.57 49.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 59.4 m -66.55 -57.45 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 57' ' ' CYS . 66.6 p -40.4 -50.21 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ARG . 86.3 m -47.32 110.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' THR . 8.4 ptp85 -35.6 128.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -164.08 165.95 21.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 66' ' ' SER . 38.9 m-20 60.85 40.59 15.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 65' ' ' ASP . 8.6 m -33.95 145.82 0.14 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.74 . . . . 0.0 110.859 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -179.42 2.87 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.398 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -141.57 157.35 45.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.6 t -95.76 162.6 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 21.9 tptt -115.21 -27.99 7.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.24 -36.63 93.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.539 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.7 p -124.7 -21.83 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.0 t80 73.74 51.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -123.69 142.84 50.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.51 119.06 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.07 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.438 HG21 ' CG ' ' A' ' 82' ' ' ASN . 94.3 mt -83.19 151.22 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.3 t -106.03 142.0 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.51 -55.05 12.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.01 -36.44 90.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.33 139.87 51.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.779 0.323 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -77.75 114.16 16.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.438 ' CG ' HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -110.33 156.99 19.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.9 t -121.23 112.2 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -95.69 111.02 23.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.545 ' CE2' ' HG3' ' A' ' 86' ' ' LYS . 21.6 t80 -98.13 -72.02 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.545 ' HG3' ' CE2' ' A' ' 85' ' ' TYR . 20.8 mttm -126.58 64.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.94 -32.22 3.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.44 HG21 ' HD3' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -96.68 126.36 41.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 111.171 -179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -92.09 140.45 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 11.2 m95 -127.74 138.85 52.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 93' ' ' ASP . 24.3 m170 -53.5 127.19 24.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' HIS . 37.0 tptt -36.54 -29.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 91' ' ' HIS . 43.8 m-20 -81.62 -53.99 5.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.5 m -53.34 -32.01 47.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -98.37 113.54 25.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.4 t -123.23 -60.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 130.19 -97.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 178.45 4.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.242 . . . . 0.0 112.338 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 100' ' ' SER . 33.0 t -112.26 -48.75 3.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 99' ' ' SER . 1.5 t -35.64 145.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.826 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.485 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -111.02 122.3 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.81 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -104.67 -47.89 3.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.6 113.81 4.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -68.99 -49.43 57.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -70.72 104.27 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.0 -167.48 12.89 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 t -112.72 145.53 40.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.392 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.58 HG11 ' HD3' ' A' ' 27' ' ' ARG . 5.9 m -95.24 -7.45 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -56.16 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 p -104.16 11.98 34.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 46.32 28.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -109.62 154.59 42.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.555 0.693 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 142.55 48.29 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.648 2.232 . . . . 0.0 112.344 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 21' ' ' GLU . 56.6 mt -105.69 145.32 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.19 171.8 31.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.434 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.52 -49.23 19.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.74 -33.3 66.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.3 p -74.26 121.8 21.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -66.15 104.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.446 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.0 pt-20 -95.93 168.95 10.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.81 104.36 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -92.42 115.9 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -152.43 128.13 10.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 60.89 44.54 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.1 m120 59.5 34.0 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 2.6 mmp_? -128.61 -178.72 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 26.5 m-85 -160.5 121.87 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.5 m-90 -120.75 144.43 48.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.43 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.2 m80 -64.24 160.86 17.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.3 -7.58 4.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -119.56 -15.82 8.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -86.5 -37.96 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -67.02 105.26 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -159.39 173.89 15.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.8 t -68.0 169.94 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.46 -9.53 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -108.34 -49.91 3.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.6 p -104.52 1.24 29.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp 47.18 46.04 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.519 ' CD2' ' HD2' ' A' ' 42' ' ' PRO . 3.8 t60 -102.04 131.75 22.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.583 0.706 . . . . 0.0 110.867 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.519 ' HD2' ' CD2' ' A' ' 41' ' ' HIS . 53.4 Cg_endo -69.74 121.86 8.55 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.3 15.82 28.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.13 -56.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -107.93 -0.67 21.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -100.34 167.6 10.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.0 p -79.76 141.3 36.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -132.29 170.16 15.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.6 t -141.54 129.09 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.41 109.23 22.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -138.96 154.11 48.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 45.2 39.4 4.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 52.45 43.23 31.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -147.58 150.89 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.3 mm -93.34 123.53 45.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -137.42 161.03 37.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.2 p -102.08 150.35 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -43.43 -50.31 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.0 -55.55 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.9 m -63.65 -57.88 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.8 p -39.45 -49.11 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.8 p -93.71 78.92 4.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.486 ' CD ' ' HB2' ' A' ' 65' ' ' ASP . 2.5 tmm_? -140.77 139.63 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.91 -36.91 3.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.486 ' HB2' ' CD ' ' A' ' 63' ' ' ARG . 34.4 t70 39.1 51.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.434 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 15.3 m -98.98 103.11 17.7 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.616 0.722 . . . . 0.0 110.846 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 66' ' ' SER . 53.3 Cg_endo -69.78 179.36 3.77 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -130.77 149.11 52.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.501 ' CA ' HD11 ' A' ' 76' ' ' ILE . 10.8 t -88.36 167.75 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 5.2 tmtt? -118.28 -26.27 6.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.3 -34.8 57.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.4 p -124.19 -21.18 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 71.78 51.41 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -126.92 158.11 37.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.87 118.38 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.648 HD13 ' CG2' ' A' ' 89' ' ' VAL . 48.5 mt -90.66 146.37 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.0 t -122.69 140.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.41 -65.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.13 -45.5 20.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -58.88 136.66 57.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.716 0.293 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -63.61 124.29 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.444 ' ND2' ' CG2' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -144.97 154.1 42.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.581 HG11 ' CD2' ' A' ' 95' ' ' PHE . 25.6 t -111.57 106.77 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.563 ' HG3' HG12 ' A' ' 89' ' ' VAL . 35.1 tt0 -88.76 125.98 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -147.87 113.81 5.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.1 mttm 57.58 54.31 6.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.96 -47.15 2.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.5 p -82.17 126.46 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.648 ' CG2' HD13 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -113.65 129.89 68.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.1 m95 -111.82 129.05 56.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 92' ' ' LYS . 23.1 m80 -40.24 142.62 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 91' ' ' HIS . 38.2 tptt -36.69 -36.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.55 -58.99 2.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 61.7 m -40.79 -46.36 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.581 ' CD2' HG11 ' A' ' 83' ' ' VAL . 9.3 t80 -59.46 158.94 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.1 m -101.32 85.59 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -135.22 74.96 0.42 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.18 18.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 t -136.88 106.41 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 t -160.25 174.48 14.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.498 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 p -112.55 97.88 6.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.366 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -118.89 149.85 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.806 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.48 51.04 3.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 m -71.52 178.33 3.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -142.67 141.36 31.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.23 -177.15 19.53 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 13.3 t -89.08 152.46 21.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -97.0 -8.54 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -93.77 -57.96 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 13' ' ' LYS . 13.9 p -104.69 21.09 17.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' CYS . 21.4 mmt85 30.99 37.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' CYS . 21.3 mttp -105.32 158.36 32.35 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.543 0.687 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 135.72 31.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.331 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.464 HG21 ' HB3' ' A' ' 21' ' ' GLU . 71.5 mt -102.89 134.81 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.69 139.54 14.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.73 -47.29 64.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -58.19 -34.22 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -74.58 127.06 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.94 104.92 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HB3' HG21 ' A' ' 15' ' ' ILE . 5.0 pm0 -101.04 152.48 20.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' A' ' 34' ' ' PHE . 59.3 t -114.42 103.45 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -90.4 116.63 28.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 17.3 t80 -152.47 137.26 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 55.7 mmtt 55.32 45.4 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 57.98 27.22 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.606 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 8.4 mmt180 -128.55 -179.68 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 7.3 m-85 -154.47 128.56 8.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.606 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.3 m-90 -122.42 139.1 54.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 38.6 m80 -62.56 157.33 20.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -13.58 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.6 t -110.41 -19.75 12.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.4 m -85.03 -44.54 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.499 ' CD2' HG21 ' A' ' 22' ' ' VAL . 23.3 t80 -59.39 99.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -156.87 171.84 19.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.3 t -65.7 164.43 14.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.5 -8.9 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -106.94 -45.56 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.1 p -104.7 -8.86 18.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.5 mm? 54.92 52.59 11.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.545 ' O ' HD22 ' A' ' 43' ' ' LEU . 68.8 t60 -114.98 139.32 24.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.75 126.2 13.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.545 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.4 mm? -101.54 15.35 29.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.0 -37.21 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -115.99 -5.45 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -116.74 146.18 42.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.2 p -55.28 160.46 2.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -138.21 168.91 18.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.2 t -141.0 133.85 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.79 114.3 28.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -140.61 132.77 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 55.82 42.08 29.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.2 m120 53.93 39.72 30.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -142.57 130.83 22.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.7 125.26 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.9 mt -138.26 152.61 48.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 p -102.3 165.5 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 1.3 p30 -53.68 -53.02 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -41.52 -44.21 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.7 m -75.85 -64.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.8 p -37.99 -43.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.7 p -81.96 160.14 23.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 59.43 39.67 21.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -132.64 84.91 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.68 76.57 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 m -63.28 154.49 78.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 149.95 67.3 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.33 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 165.78 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.4 t -109.33 161.97 14.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.587 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.7 tptm -113.27 -25.15 8.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.87 -30.17 59.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.8 p -125.89 -16.39 5.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 61.78 49.38 4.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -126.66 150.71 48.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.93 116.42 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.56 HG21 ' CG ' ' A' ' 82' ' ' ASN . 38.4 mt -76.94 138.99 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.6 t -73.53 143.74 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.179 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.37 -51.88 24.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -91.09 55.99 3.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.18 139.78 52.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -73.54 93.33 2.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.56 ' CG ' HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -98.69 153.63 18.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.0 t -116.17 110.17 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.509 ' CG ' HG22 ' A' ' 89' ' ' VAL . 11.6 mt-10 -84.68 130.65 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -151.27 105.56 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.22 25.34 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.28 -36.56 3.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.5 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.3 p -83.32 126.15 32.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 111.178 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 84' ' ' GLU . 2.9 t -93.74 141.36 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.587 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 5.2 m95 -131.7 134.48 45.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' ASP . 26.8 m80 -53.69 130.32 36.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' HIS . 0.7 OUTLIER -34.45 -31.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 91' ' ' HIS . 26.9 t0 -82.87 -53.84 5.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.2 m -52.06 -43.12 63.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -54.78 150.33 9.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 m -97.73 55.8 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.88 110.23 3.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' SER . 53.5 Cg_endo -69.77 -50.52 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' PRO . 95.2 p 37.73 39.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 m -52.08 120.29 5.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.475 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -81.77 107.21 14.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -105.17 81.32 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.71 120.79 4.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -100.28 -62.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 m -55.14 102.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.68 -179.27 15.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 17.3 t -95.25 147.93 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.61 HG11 ' HD3' ' A' ' 27' ' ' ARG . 12.9 m -97.27 -9.4 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.13 -56.58 3.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 p -105.34 14.46 28.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 39.94 37.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -110.26 156.65 39.86 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 142.78 48.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.411 HG12 ' NE2' ' A' ' 30' ' ' HIS . 94.4 mt -111.67 144.12 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.26 -178.59 37.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.29 -43.66 12.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -68.66 -30.01 68.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.4 m -68.08 133.17 48.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -66.09 103.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.66 157.3 17.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' A' ' 34' ' ' PHE . 53.9 t -122.22 104.22 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.44 113.63 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -151.3 137.51 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt 54.96 43.09 30.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 59.21 26.97 15.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.61 ' HD3' HG11 ' A' ' 9' ' ' VAL . 47.0 mtt180 -128.49 177.03 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 16.2 m-85 -149.61 130.43 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.8 m-90 -124.68 140.55 52.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 42.1 m80 -65.7 150.63 48.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -49.85 -20.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 p -102.36 -19.37 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.4 m -87.23 -48.09 8.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.432 ' CD2' HG21 ' A' ' 22' ' ' VAL . 39.6 t80 -55.7 98.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -159.63 166.35 30.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.6 t -59.05 172.6 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.63 -19.93 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -92.36 -53.03 4.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.9 p -99.2 -18.27 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt 67.94 52.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -113.13 132.05 22.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 0.0 110.885 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 116.62 4.65 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.19 27.12 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.89 -60.28 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -92.91 -13.92 28.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -93.82 177.4 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 48' ' ' PHE . 47.6 m -102.78 154.39 19.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.424 ' N ' HG22 ' A' ' 47' ' ' THR . 7.5 p90 -137.26 178.43 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HB ' HG21 ' A' ' 61' ' ' THR . 89.8 t -138.43 123.29 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.35 108.82 17.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -139.87 148.22 41.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 47.65 41.25 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 m120 51.77 38.48 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -147.24 147.5 30.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.3 mm -87.9 127.55 40.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -136.46 150.58 48.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.4 p -91.77 161.5 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -55.27 -43.99 75.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -33.63 66.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 62' ' ' THR . 36.2 m -80.36 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.417 HG21 ' HB ' ' A' ' 49' ' ' VAL . 36.5 p -38.08 -31.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' CYS . 63.3 m -59.84 138.5 57.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -39.4 115.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -133.03 161.45 34.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -85.81 39.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -64.72 158.88 66.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.689 0.757 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 160.99 47.64 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.11 158.93 36.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.1 t -101.77 165.2 11.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.634 ' HB2' HG21 ' A' ' 88' ' ' THR . 26.2 tptt -113.91 -23.02 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.18 -40.56 28.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.537 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.8 p -121.98 -13.77 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 62.3 52.34 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -123.23 153.06 40.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.72 106.03 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.0 mt -68.6 142.37 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 78' ' ' ALA . 63.8 t -102.66 152.41 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -60.58 -66.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.58 -41.99 34.74 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -56.21 157.22 4.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.803 0.335 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -90.0 128.77 36.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.565 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 1.2 p30 -131.2 176.17 8.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.514 ' C ' HG23 ' A' ' 89' ' ' VAL . 19.9 t -139.82 112.25 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 4.8 tt0 -102.45 134.92 44.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -123.61 -80.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -120.15 91.32 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.24 -47.74 1.7 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.634 HG21 ' HB2' ' A' ' 70' ' ' LYS . 3.4 m -96.8 155.93 16.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.565 ' CG2' ' HB2' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -133.58 126.17 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.514 ' CH2' ' HG2' ' A' ' 70' ' ' LYS . 2.5 m95 -100.39 145.95 27.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -53.95 149.23 9.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -46.83 -30.25 2.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -85.81 -50.45 7.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 87.8 m -51.47 -44.11 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -75.83 78.86 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -51.91 -59.64 4.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.82 -113.01 5.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -35.45 12.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.5 p -71.36 175.07 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.83 160.1 40.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.496 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 p -41.73 -45.64 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 m -115.84 169.79 8.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.5 58.62 0.4 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -100.67 44.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -158.39 175.64 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.76 154.29 10.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -94.11 143.25 26.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.942 0.401 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 m -95.13 -5.72 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.32 -55.65 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.7 p -98.18 1.64 47.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? 51.72 26.4 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -108.11 157.55 35.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.43 48.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.497 HG21 ' HB3' ' A' ' 21' ' ' GLU . 61.4 mt -108.53 147.37 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.61 142.96 16.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.3 -48.92 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.094 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.04 -33.69 75.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 m -64.72 131.4 46.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -63.9 103.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.497 ' HB3' HG21 ' A' ' 15' ' ' ILE . 5.0 pt-20 -111.05 157.87 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 t -117.33 104.12 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -91.11 117.69 29.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -152.19 121.26 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.95 49.46 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 56.65 31.22 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.639 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 32.9 mtt85 -126.64 -178.78 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.1 m-85 -161.43 126.91 3.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.8 m-90 -125.52 140.18 52.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' NE2' HG12 ' A' ' 15' ' ' ILE . 14.1 m80 -64.25 156.35 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -55.99 -13.39 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -111.78 -17.62 12.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.6 m -86.41 -40.22 15.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -65.75 105.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HD3' ' C ' ' A' ' 40' ' ' LEU . 5.2 ptp85 -163.12 171.23 16.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.33 167.08 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.26 -15.14 14.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -100.75 -48.4 4.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.11 -9.17 21.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.703 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.0 OUTLIER 53.32 54.4 10.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.723 ' O ' HD22 ' A' ' 43' ' ' LEU . 11.2 t60 -114.74 142.07 27.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.75 113.14 3.27 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.9 mm? -90.24 20.68 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.29 -62.07 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -81.83 -19.03 41.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -102.41 176.68 5.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 43' ' ' LEU . 20.7 m -82.36 155.57 24.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.129 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' N ' HG22 ' A' ' 47' ' ' THR . 43.5 p90 -130.54 158.99 38.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' ' HD3' ' A' ' 51' ' ' LYS . 77.7 t -134.43 140.92 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.56 111.82 16.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.45 ' HD3' ' CG1' ' A' ' 49' ' ' VAL . 6.1 mptt -141.02 135.22 30.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.63 34.43 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.1 m120 60.24 41.1 17.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -146.01 133.33 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.9 mm -82.96 133.27 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.0 mt -146.39 167.5 23.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.6 p -110.65 158.3 18.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -52.51 -45.62 66.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.517 ' O ' HG22 ' A' ' 62' ' ' THR . 27.2 tttm -50.03 -36.88 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.5 m -86.37 -63.17 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 57.3 p -40.08 -43.48 1.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 59' ' ' LYS . 14.8 t -54.3 154.98 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -59.19 118.56 6.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -154.72 156.93 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' SER . 5.3 t70 73.77 44.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' ASP . 21.2 p -37.48 139.91 0.52 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.7 0.762 . . . . 0.0 110.855 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.0 15.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.41 157.62 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.4 t -97.05 164.45 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 10.9 tptm -111.28 -21.45 11.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.49 -34.82 34.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 7.8 p -122.07 -24.97 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 t80 74.22 49.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -121.85 164.3 17.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.89 105.19 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 91' ' ' HIS . 61.6 mt -70.78 137.51 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 78' ' ' ALA . 91.6 t -109.25 152.52 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -49.56 -60.41 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.99 -37.71 86.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.1 111.7 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.743 0.306 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.488 ' HB3' ' CG ' ' A' ' 92' ' ' LYS . 12.1 mm-40 -39.79 147.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.437 HD22 ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -154.23 156.97 38.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 22.0 t -127.41 108.15 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 3.4 tt0 -98.12 128.13 44.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 86' ' ' LYS . 3.1 t80 -114.24 -77.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 85' ' ' TYR . 34.6 mttm -134.59 84.74 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.1 -39.79 2.63 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.3 p -105.48 126.79 52.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 0.0 111.115 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -110.2 123.23 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.562 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.8 m95 -104.89 140.36 38.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.439 ' NE2' HG12 ' A' ' 76' ' ' ILE . 27.6 m80 -49.73 158.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.488 ' CG ' ' HB3' ' A' ' 81' ' ' GLN . 8.1 mmmt -59.95 -24.7 64.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.74 -35.2 16.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.9 m -72.42 -30.45 64.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.56 84.87 3.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.6 t -122.94 44.5 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 54.67 -173.21 0.83 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 140.8 43.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.394 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.9 p -171.77 144.91 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.2 t -93.27 164.46 13.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.514 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -78.39 92.31 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.891 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 t -96.21 99.41 11.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.57 157.74 22.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 p -101.45 166.0 10.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -130.18 46.43 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.52 -173.63 49.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 33.1 t -88.7 147.4 24.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.28 -22.81 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -73.13 -55.2 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.4 p -97.9 -2.57 40.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 53.85 31.08 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -107.85 156.87 37.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.572 0.701 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.46 45.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.432 HG21 ' HB3' ' A' ' 21' ' ' GLU . 85.6 mt -108.79 142.02 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.81 164.48 18.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -48.65 68.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.338 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -58.56 -36.43 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -69.26 129.86 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -68.02 105.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.2 pm0 -103.9 152.83 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.1 t -114.69 103.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 11.8 t-80 -88.85 117.24 27.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -152.98 126.0 8.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? 62.77 43.55 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 59.88 31.82 20.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.588 ' HD3' ' CZ2' ' A' ' 29' ' ' TRP . 43.9 mtt85 -130.24 -178.22 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -156.49 128.48 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.588 ' CZ2' ' HD3' ' A' ' 27' ' ' ARG . 31.2 m-90 -126.52 140.74 52.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.8 m170 -65.66 157.07 30.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -22.64 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.0 p -101.91 -15.87 16.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.9 m -87.66 -48.83 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -58.48 97.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HB2' ' C ' ' A' ' 41' ' ' HIS . 10.8 ptp85 -154.14 176.18 12.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 t -70.8 168.51 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.91 -13.81 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -99.98 -49.41 4.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.3 p -100.8 -11.99 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.4 mm? 60.6 49.41 6.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.615 ' O ' HD22 ' A' ' 43' ' ' LEU . 6.1 t60 -110.6 132.93 21.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.638 0.732 . . . . 0.0 110.828 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 111.87 2.91 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.691 2.261 . . . . 0.0 112.404 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.3 mm? -86.52 25.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -48.09 80.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -111.08 3.6 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -114.64 170.86 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 p -75.91 158.09 32.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -148.43 162.12 40.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.496 ' HB ' HG21 ' A' ' 61' ' ' THR . 98.7 t -139.97 137.25 38.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.33 108.62 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HE3' HG11 ' A' ' 49' ' ' VAL . 69.6 mttt -141.46 137.44 32.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 61.81 41.97 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 49.03 36.64 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -142.47 139.96 31.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -83.7 133.24 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.6 mt -144.2 164.57 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.652 ' O ' HG23 ' A' ' 61' ' ' THR . 16.2 p -106.91 170.17 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -63.68 -44.71 92.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.598 ' O ' HG22 ' A' ' 62' ' ' THR . 25.4 tptt -51.05 -37.53 46.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' THR . 60.7 m -84.08 -62.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 57' ' ' CYS . 70.5 p -37.76 -48.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 59' ' ' LYS . 14.1 t -45.4 137.85 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -41.73 126.35 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' OE2' HG23 ' A' ' 62' ' ' THR . 62.4 mm-40 -119.63 -48.15 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' SER . 6.5 p-10 -57.83 87.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' ASP . 4.1 m -37.5 157.27 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.7 0.762 . . . . 0.0 110.842 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -175.87 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.74 154.97 35.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 91' ' ' HIS . 47.5 t -92.8 163.22 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.68 ' HB2' HG21 ' A' ' 88' ' ' THR . 0.5 OUTLIER -111.44 -30.35 7.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.91 -48.4 81.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.28 -13.95 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 40.3 m-85 63.73 50.8 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -123.65 143.31 50.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.8 123.76 14.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.472 HD11 ' O ' ' A' ' 89' ' ' VAL . 94.7 mt -81.61 149.33 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.7 t -103.63 144.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.4 -56.2 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.45 92.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.53 141.62 58.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.431 ' C ' ' OD1' ' A' ' 82' ' ' ASN . 8.1 mm100 -71.01 138.75 50.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -136.25 151.12 49.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 17.1 t -122.07 108.59 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.578 ' HB2' HG13 ' A' ' 89' ' ' VAL . 25.6 tt0 -86.86 118.72 26.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.89 62.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt 66.42 37.08 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.63 -77.18 0.23 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.68 HG21 ' HB2' ' A' ' 70' ' ' LYS . 2.8 m -80.18 148.76 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.578 HG13 ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -113.41 113.44 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.631 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 15.0 m95 -93.79 134.9 35.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 93' ' ' ASP . 39.4 m80 -51.48 127.56 20.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' HIS . 39.6 tptt -34.74 -31.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 91' ' ' HIS . 17.1 m-20 -78.75 -59.93 2.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 66.3 m -48.78 -33.24 9.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -78.04 83.93 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.7 t -87.59 76.82 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.66 -117.96 4.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.12 5.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 94.4 p -140.83 160.5 39.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.4 m -118.71 -47.33 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.502 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -162.57 129.37 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -71.32 83.98 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 137.43 49.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 p -38.36 -47.25 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 110.89 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 p -126.37 120.81 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.2 173.47 16.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 14.6 t -89.32 151.76 21.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.523 HG13 ' NE1' ' A' ' 29' ' ' TRP . 1.0 OUTLIER -96.94 -13.64 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -93.93 -57.16 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 12' ' ' ARG . 26.2 p -97.08 14.86 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 31.5 42.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 22.3 mmtt -116.73 158.03 44.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD2' ' HD3' ' A' ' 13' ' ' LYS . 54.2 Cg_endo -69.74 135.45 30.53 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.381 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.44 HG12 ' NE2' ' A' ' 30' ' ' HIS . 52.6 mt -104.12 153.32 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' N ' HG22 ' A' ' 15' ' ' ILE . . . -108.93 146.46 16.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.49 -49.34 67.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -55.97 -33.4 64.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -73.3 143.25 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -73.67 104.54 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 2.3 pm0 -102.95 147.87 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.6 104.02 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.423 ' CD2' ' C ' ' A' ' 23' ' ' HIS . 6.6 t-160 -88.75 114.42 25.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -152.79 140.82 20.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 53.42 42.47 31.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' O ' ' CZ ' ' A' ' 27' ' ' ARG . 2.2 m120 59.65 27.4 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.599 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.5 mmp_? -128.59 -178.92 4.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 11.5 m-85 -154.01 124.31 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.599 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.9 m-90 -119.37 139.62 51.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' NE2' HG12 ' A' ' 15' ' ' ILE . 9.7 m80 -60.81 161.77 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' OD1' HG23 ' A' ' 32' ' ' THR . 1.4 p-10 -60.78 -12.71 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.426 HG23 ' OD1' ' A' ' 31' ' ' ASP . 75.1 p -113.95 -16.8 12.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.17 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.2 m -85.66 -38.41 18.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.26 100.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -157.99 174.59 15.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.8 t -65.83 169.21 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.72 -14.22 13.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -98.13 -50.99 4.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.0 -15.58 17.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mt 65.26 54.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 42' ' ' PRO . 17.3 t60 -119.22 134.3 23.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.595 0.712 . . . . 0.0 110.823 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 53.3 Cg_endo -69.75 127.7 14.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.731 2.287 . . . . 0.0 112.306 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.517 ' N ' HD22 ' A' ' 43' ' ' LEU . 1.5 mm? -99.37 18.49 17.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.15 -62.25 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.19 -15.11 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -98.48 -179.1 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.7 m -92.72 151.2 20.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -134.47 161.98 33.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.4 t -133.76 134.01 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.63 111.22 23.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -139.23 148.28 42.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 44.51 42.03 5.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t30 52.18 42.24 30.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -144.58 145.0 31.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -92.17 126.79 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -141.5 160.2 40.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.3 p -104.29 156.45 17.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -47.69 -56.48 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -40.86 -41.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 62' ' ' THR . 68.4 m -78.66 -62.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 58.6 p -42.36 -24.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' CYS . 63.8 m -87.23 114.63 24.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -151.65 166.25 31.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.49 154.98 41.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.23 68.77 2.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -85.21 159.64 56.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.705 0.764 . . . . 0.0 110.813 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 152.63 69.15 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.363 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -138.21 130.26 28.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.465 ' HA ' HD11 ' A' ' 76' ' ' ILE . 36.7 t -64.32 164.0 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.603 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 6.0 tmtm? -111.26 -28.31 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.5 -42.78 47.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.1 p -110.57 -23.95 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 71.83 43.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -116.28 152.56 33.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.82 117.07 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.568 HD13 ' CG2' ' A' ' 89' ' ' VAL . 81.1 mt -84.0 156.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.487 ' N ' HG22 ' A' ' 76' ' ' ILE . 59.1 t -124.57 144.89 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.98 66.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.7 -40.62 99.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.56 172.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.41 93.0 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.501 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -104.68 160.49 14.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 25.0 t -119.14 106.41 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.662 ' HG3' HG12 ' A' ' 89' ' ' VAL . 58.3 tt0 -88.92 134.05 34.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -128.11 -74.87 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -125.62 87.22 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.01 -46.54 2.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -101.78 151.74 21.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.662 HG12 ' HG3' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -122.03 126.3 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.603 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.7 m95 -100.91 132.06 46.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 90' ' ' TRP . 22.2 m170 -39.99 161.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -72.26 3.4 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -119.27 -33.29 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.46 -42.39 74.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -62.57 112.34 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.8 m -126.41 83.4 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.9 -152.85 9.1 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.46 68.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.271 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 m -98.38 158.29 15.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -114.86 174.49 5.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.491 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -88.35 -47.26 8.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -63.78 160.44 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.93 -82.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -43.57 112.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -58.68 134.81 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.31 -178.01 18.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 t -102.66 146.32 28.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG21 ' HD3' ' A' ' 27' ' ' ARG . 19.9 m -96.07 -6.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -56.68 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 8.2 p -105.49 13.69 29.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.34 34.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 41.6 mmtt -112.32 154.82 44.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.48 47.91 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.238 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.507 HG21 ' HB3' ' A' ' 21' ' ' GLU . 63.0 mt -106.46 144.31 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.52 145.5 18.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.52 80.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.42 -36.64 84.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -66.14 118.73 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -61.02 105.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.2 pt-20 -101.15 167.69 10.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.54 104.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.41 ' CD2' ' C ' ' A' ' 23' ' ' HIS . 7.1 t-160 -92.43 114.4 26.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.478 ' CE2' ' CE2' ' A' ' 48' ' ' PHE . 4.6 t80 -151.92 144.89 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 49.9 42.85 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 59.08 29.02 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.587 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 43.6 mtt85 -129.81 178.86 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -151.36 127.99 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.587 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.6 m-90 -124.68 141.0 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.417 ' NE2' HG12 ' A' ' 15' ' ' ILE . 23.0 m80 -63.85 159.77 18.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -59.89 -16.61 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.432 ' O ' ' NH2' ' A' ' 35' ' ' ARG . 28.6 p -108.44 -12.98 14.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.8 m -89.4 -50.42 6.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -56.34 101.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.523 ' HD2' HD12 ' A' ' 40' ' ' LEU . 5.9 ptp85 -160.19 159.52 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' O ' HD13 ' A' ' 40' ' ' LEU . 6.3 t -54.36 169.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.15 -16.61 13.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -96.71 -50.7 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -100.44 -11.92 19.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD12 ' HD2' ' A' ' 35' ' ' ARG . 3.8 mm? 57.55 53.57 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.703 ' O ' HD22 ' A' ' 43' ' ' LEU . 11.8 t60 -111.46 142.98 27.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 41' ' ' HIS . 54.0 Cg_endo -69.74 111.5 2.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.4 mm? -89.42 24.0 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.46 -45.38 94.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -111.66 4.39 18.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -116.16 159.52 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -74.24 152.36 39.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CE2' ' CE2' ' A' ' 24' ' ' TYR . 38.4 p90 -141.8 169.1 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 91.6 t -140.55 134.99 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.79 108.77 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -141.38 141.43 33.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 54.37 40.26 31.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 51.86 35.75 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -140.5 140.97 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.09 128.34 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.3 mt -139.35 158.96 43.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.414 ' O ' HG23 ' A' ' 61' ' ' THR . 18.3 p -100.56 157.19 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -50.47 -47.04 57.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -48.26 -49.25 34.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.1 m -70.79 -60.61 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 57' ' ' CYS . 64.5 p -37.71 -39.94 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.204 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.8 m -50.23 139.53 14.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -52.15 121.31 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -122.99 168.66 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.68 69.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 m -134.08 156.23 79.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.635 0.731 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 175.46 8.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -134.42 162.89 30.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.0 t -105.34 165.2 11.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.3 tmtt? -114.65 -29.86 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -35.89 90.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.6 p -122.94 -26.03 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.1 t80 75.07 45.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -124.14 154.46 40.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.19 118.66 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.418 HD13 HG22 ' A' ' 89' ' ' VAL . 63.4 mt -84.59 145.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.9 t -103.47 145.42 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.2 -49.76 72.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.61 44.95 3.02 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 82' ' ' ASN . 29.3 m-20 -143.18 132.36 23.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -51.27 116.48 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 3.0 m-20 -136.86 160.83 37.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 19.9 t -121.1 108.76 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 2.9 tt0 -94.18 123.06 37.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 86' ' ' LYS . 32.7 t80 -144.97 131.34 19.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' HB2' ' CD1' ' A' ' 85' ' ' TYR . 19.6 tttm 48.14 43.38 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.4 -47.74 3.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.6 p -78.56 127.84 32.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 0.0 111.165 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -110.83 119.64 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.7 m95 -100.46 136.68 39.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.416 ' NE2' HG12 ' A' ' 76' ' ' ILE . 28.8 m80 -48.06 140.71 6.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -43.04 -31.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -82.22 -46.33 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 97.2 m -58.36 -42.07 86.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.1 78.49 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.1 m -92.59 46.16 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 97.96 -125.04 8.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 140.3 42.06 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.311 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.7 p -142.68 171.31 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 t -141.06 135.45 31.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.483 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -78.17 108.81 11.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -92.5 -51.94 4.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.01 45.31 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -134.56 41.66 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.381 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -87.38 131.13 34.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.22 171.93 40.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 36.7 t -89.33 144.33 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.793 HG11 ' HD2' ' A' ' 27' ' ' ARG . 21.3 m -97.64 -19.77 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -79.68 -52.79 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.72 -10.49 29.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 21.1 mmt85 61.27 29.69 18.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -109.58 154.21 42.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.11 44.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.68 HG21 ' HB3' ' A' ' 21' ' ' GLU . 59.1 mt -108.19 137.23 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.43 159.05 23.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.83 90.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -57.48 -37.08 72.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.5 m -70.4 138.82 51.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -78.05 102.79 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.68 ' HB3' HG21 ' A' ' 15' ' ' ILE . 18.6 pt-20 -99.88 150.61 22.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.7 t -107.49 105.71 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -88.71 114.88 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.402 ' CE2' ' HE2' ' A' ' 48' ' ' PHE . 4.1 t80 -152.67 134.51 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt 55.69 44.15 26.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 58.32 33.04 22.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.793 ' HD2' HG11 ' A' ' 9' ' ' VAL . 34.7 mmt180 -131.87 -179.58 5.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 14.9 m-85 -154.48 124.9 6.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.3 m-90 -123.07 144.26 49.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' NE2' HG12 ' A' ' 15' ' ' ILE . 11.9 m170 -64.98 160.1 21.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.45 -2.79 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.3 p -121.25 -15.98 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -87.3 -49.03 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -55.74 107.77 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.559 ' HD2' HD12 ' A' ' 40' ' ' LEU . 13.7 ptp180 -155.72 173.9 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 t -70.26 169.26 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.38 -15.55 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -97.56 -49.63 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.5 p -103.51 -10.88 18.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.559 HD12 ' HD2' ' A' ' 35' ' ' ARG . 3.6 mm? 59.46 53.8 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.5 ' O ' HD22 ' A' ' 43' ' ' LEU . 86.1 t60 -115.9 132.92 22.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.575 0.703 . . . . 0.0 110.854 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.434 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.7 Cg_endo -69.8 117.95 5.39 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.5 mm? -95.24 26.42 3.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.15 -44.33 92.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -102.31 -14.28 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -106.26 177.95 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 p -83.91 164.08 19.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.402 ' HE2' ' CE2' ' A' ' 24' ' ' TYR . 51.5 p90 -152.22 173.3 15.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.7 t -143.52 138.49 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.62 111.23 22.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -141.08 144.7 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t0 53.67 43.24 31.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 49.9 34.94 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -137.97 139.12 39.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.4 mm -86.54 129.34 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -143.47 167.04 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.6 p -106.84 161.9 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -55.06 -57.29 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -43.38 -37.3 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 30.7 m -76.19 -74.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 65.6 p -38.65 -43.78 0.92 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.2 m -96.2 118.37 32.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -161.21 155.03 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -127.81 37.83 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.13 90.01 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.5 m -129.58 130.56 23.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 174.82 8.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.369 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 89' ' ' VAL . 22.2 mtpp -137.7 155.03 49.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 53.0 t -96.7 163.17 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 6.6 tptp -113.74 -29.21 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.21 -38.11 91.65 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 32.1 p -121.63 -11.92 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 69' ' ' CYS . 48.6 m-85 62.92 48.5 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -118.16 149.8 40.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.92 108.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.5 mt -72.27 133.36 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.83 144.3 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.82 -52.94 21.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.96 -43.14 92.98 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.82 156.02 3.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.737 0.303 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -100.9 106.54 17.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.8 165.16 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 41.0 t -123.94 107.44 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.476 ' HB2' HG13 ' A' ' 89' ' ' VAL . 20.2 tt0 -80.31 106.37 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 84.9 t80 -108.67 96.9 6.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 19.6 mtpp 66.32 25.01 10.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.86 -53.79 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 p -74.88 125.76 29.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -94.22 142.22 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 8.7 m95 -130.3 130.41 44.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 92' ' ' LYS . 24.0 m80 -47.48 123.79 6.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 91' ' ' HIS . 16.8 tptp -32.89 -36.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 91' ' ' HIS . 7.4 m-20 -74.31 -51.86 13.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' HIS . 87.8 m -53.91 -39.62 65.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -83.28 95.5 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.8 m -112.87 -45.73 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 122.22 124.8 3.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -7.38 20.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -163.97 144.59 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.4 t -98.47 -50.26 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.436 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -84.32 48.74 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -73.12 136.09 44.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.808 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.88 -60.92 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 p -47.94 159.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -68.43 108.25 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.66 176.46 18.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 28' ' ' PHE . 9.1 t -82.56 146.77 29.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -96.38 -3.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.0 -56.65 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 8.5 p -100.22 6.2 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 9.7 mmt180 47.74 26.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.814 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 10.5 mmtp -102.44 157.52 33.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 137.0 34.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 21' ' ' GLU . 75.0 mt -101.79 143.07 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.37 159.1 22.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -48.01 76.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -58.83 -34.96 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -70.03 130.7 42.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -77.11 103.78 7.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.504 ' HB3' HG21 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -98.74 167.02 11.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.428 HG11 ' CE2' ' A' ' 34' ' ' PHE . 47.7 t -123.71 106.74 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -91.29 117.77 29.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 61.4 t80 -151.26 121.58 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 25.1 mmmt 65.23 53.79 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 52.72 31.33 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.594 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 13.4 mmp_? -129.2 -178.58 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 18.5 m-85 -160.29 126.09 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 28.4 m-90 -122.58 141.79 51.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.9 m80 -63.4 163.66 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.07 -11.5 30.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.9 p -114.5 -13.83 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.2 m -90.1 -43.23 10.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CE2' HG11 ' A' ' 22' ' ' VAL . 21.8 t80 -61.75 98.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -157.28 177.4 11.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.6 t -72.12 163.99 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.58 -6.23 16.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.047 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -107.29 -43.71 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 p -109.93 -3.18 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.658 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.4 mm? 51.77 54.78 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -117.85 133.63 23.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.708 . . . . 0.0 110.842 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 126.76 13.73 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.11 33.01 4.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.42 -47.01 82.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -113.46 -0.34 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -104.18 173.55 6.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -81.46 148.32 29.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -139.76 155.47 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.5 t -130.68 141.34 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.33 109.28 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -139.97 134.25 31.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 60.09 43.33 14.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 m120 49.34 35.26 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -140.47 128.99 22.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.5 mm -77.21 134.48 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -146.38 158.75 43.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.684 ' O ' HG23 ' A' ' 61' ' ' THR . 12.4 p -104.66 169.41 8.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -55.48 -55.53 30.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -38.2 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.4 m -82.32 -60.3 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 57' ' ' CYS . 53.1 p -38.94 -35.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' THR . 77.5 m -37.28 -50.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -117.83 170.67 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.66 171.76 17.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.65 30.25 5.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -85.37 161.53 51.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.64 0.733 . . . . 0.0 110.89 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 172.26 12.99 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -129.2 165.85 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.0 t -106.93 167.33 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 15.9 tptm -115.95 -25.25 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.19 -42.66 35.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.2 p -120.03 -6.09 10.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.898 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 54.31 54.24 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -127.57 148.92 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.6 111.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.0 mt -73.19 133.04 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.2 t -87.02 138.17 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.91 -40.23 56.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -93.28 50.9 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -141.94 137.93 31.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.74 0.305 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -65.8 113.56 4.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.5 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -124.15 178.22 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.781 HG11 ' CD1' ' A' ' 95' ' ' PHE . 38.4 t -138.57 105.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 5.0 tt0 -94.43 128.3 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' TYR . 12.7 t80 -117.11 68.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt 56.59 54.9 6.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.93 -82.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.2 p -78.07 125.59 29.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 111.199 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -114.22 134.51 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.5 m95 -116.79 145.87 43.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -52.52 142.15 18.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -39.63 -33.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -82.15 -46.44 13.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 93.6 m -57.52 -41.03 80.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.781 ' CD1' HG11 ' A' ' 83' ' ' VAL . 6.0 t80 -80.52 136.78 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.9 t -155.11 120.35 4.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.24 -112.88 1.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.81 9.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 m -77.54 150.6 34.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.8 t -85.6 163.83 18.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.503 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -96.79 -58.26 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -112.42 102.72 10.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.84 -173.42 34.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -119.63 96.98 5.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.388 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -93.27 88.26 5.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.05 174.36 17.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 t -87.27 143.38 27.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.724 HG11 ' HD2' ' A' ' 27' ' ' ARG . 10.6 m -95.12 -15.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -82.2 -56.48 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -97.48 6.08 48.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 45.11 33.92 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -112.04 155.26 43.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 140.7 43.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG12 ' NE2' ' A' ' 30' ' ' HIS . 51.4 mt -104.83 138.37 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.31 -173.35 21.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.93 -43.39 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -89.89 22.64 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 m -104.53 131.95 51.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -63.55 104.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.27 165.6 12.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.436 HG21 ' CD2' ' A' ' 34' ' ' PHE . 52.2 t -125.02 105.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -91.87 117.76 30.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 35.8 t80 -152.43 133.77 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 15.1 mmmt 53.99 44.43 29.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 60.04 34.8 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.724 ' HD2' HG11 ' A' ' 9' ' ' VAL . 26.2 mmt85 -129.38 -179.11 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 16.0 m-85 -159.3 125.82 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 31.2 m-90 -125.4 139.64 53.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.3 m80 -63.99 151.95 41.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -15.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -109.2 -15.94 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.2 m -89.59 -43.71 10.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CD2' HG21 ' A' ' 22' ' ' VAL . 27.3 t80 -58.72 97.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.675 ' HE ' HD12 ' A' ' 40' ' ' LEU . 10.8 ptt-85 -156.9 164.93 37.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 t -60.14 165.62 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.06 -5.61 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -108.36 -48.45 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.79 -11.39 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.675 HD12 ' HE ' ' A' ' 35' ' ' ARG . 3.3 mm? 59.76 46.54 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.538 ' O ' HD22 ' A' ' 43' ' ' LEU . 23.2 t60 -107.7 140.19 21.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.839 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.43 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 53.6 Cg_endo -69.82 124.57 11.18 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.617 2.211 . . . . 0.0 112.346 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.7 mm? -97.37 16.94 18.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.25 75.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -115.98 -1.42 12.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 47' ' ' THR . 8.7 tp10 -120.15 146.61 45.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 3.0 m -58.8 147.33 33.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE2' ' CE2' ' A' ' 24' ' ' TYR . 44.3 p90 -128.24 163.58 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.682 HG11 ' HE2' ' A' ' 51' ' ' LYS . 97.7 t -133.1 133.33 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.77 108.74 20.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.682 ' HE2' HG11 ' A' ' 49' ' ' VAL . 42.9 mtmt -141.37 143.34 33.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 51.07 44.34 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 48.58 35.69 6.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -140.79 141.24 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.6 mm -86.7 132.08 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -147.75 158.69 44.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.6 p -102.04 150.71 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -48.46 -47.15 38.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -47.77 -36.04 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.33 -55.29 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 47.4 p -42.07 -31.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -82.47 -47.73 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -55.83 123.19 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -95.35 35.52 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -103.93 76.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 p -174.83 155.09 1.89 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 170.25 17.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -130.17 162.35 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.4 t -103.06 165.21 11.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.701 ' HB2' HG21 ' A' ' 88' ' ' THR . 10.2 tptm -112.16 -24.25 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.79 -37.71 33.34 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 16.2 p -119.86 -23.93 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.9 t80 71.55 47.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -125.22 153.02 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.14 120.33 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.1 mt -86.49 140.43 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 79' ' ' GLY . 22.2 t -97.67 142.14 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.79 -42.74 84.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.424 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -85.66 40.94 3.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.4 137.48 30.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.72 0.295 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.19 126.83 22.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 2.5 p30 -142.85 170.39 15.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' TRP . 15.0 t -141.25 116.3 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.4 tt0 -107.33 137.4 45.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -128.41 -80.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -111.95 85.47 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.92 -49.02 1.38 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.701 HG21 ' HB2' ' A' ' 70' ' ' LYS . 3.8 m -90.18 153.54 20.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.337 . . . . 0.0 111.133 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -129.47 122.71 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.7 m95 -94.8 150.58 20.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 94' ' ' CYS . 27.0 m80 -64.54 139.65 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' HIS . 29.7 tptt -38.11 -31.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' HIS . 4.2 m-20 -84.14 -44.62 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 91' ' ' HIS . 83.7 m -59.47 -39.87 85.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -80.2 113.6 18.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.1 t -148.32 117.14 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.634 ' N ' ' HD2' ' A' ' 98' ' ' PRO . . . -66.31 -50.55 49.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.495 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 97' ' ' GLY . 53.7 Cg_endo -69.73 8.29 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 100' ' ' SER . 4.8 t -99.63 165.48 11.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 99' ' ' SER . 56.0 m -35.13 141.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.494 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' GLY . 88.9 p 37.69 42.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.842 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -44.33 111.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.66 79.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.7 m -71.54 145.48 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' SER . 37.1 m -36.93 -53.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.05 127.77 3.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.8 t -93.81 142.1 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.418 HG21 ' NE ' ' A' ' 27' ' ' ARG . 5.4 m -94.26 -1.2 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -98.81 -56.28 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 p -97.71 5.61 49.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 47.83 27.03 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -109.06 154.65 41.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 139.7 40.69 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.516 HG21 ' HB3' ' A' ' 21' ' ' GLU . 60.4 mt -99.12 137.89 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.63 152.72 44.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.51 -21.74 61.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.333 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -113.64 12.85 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 m -92.82 136.47 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 102.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HB3' HG21 ' A' ' 15' ' ' ILE . 2.8 pp20? -112.73 164.97 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.7 t -119.93 104.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -92.4 118.18 30.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -152.24 125.3 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? 60.57 44.64 11.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 60.98 36.19 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.566 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 9.0 mmm180 -129.01 -178.48 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 16.2 m-85 -161.57 121.05 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 29.9 m-90 -122.99 140.0 53.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 15' ' ' ILE . 22.5 m80 -66.28 153.25 43.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -15.24 0.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 t -108.21 -17.46 14.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.6 m -88.6 -43.8 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -60.73 106.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.2 ptt85 -163.46 175.98 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 t -66.69 167.42 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.01 -11.73 15.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 6.7 ttmt -105.91 -52.13 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.5 p -102.22 3.99 38.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mp 43.49 49.39 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -104.9 128.97 25.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.579 0.704 . . . . 0.0 110.845 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.528 ' C ' HD13 ' A' ' 43' ' ' LEU . 53.6 Cg_endo -69.76 126.78 13.72 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -111.27 27.27 9.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.74 -38.07 66.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -112.52 -2.91 14.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -109.68 176.64 5.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -87.67 148.97 24.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -135.08 160.24 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.4 t -128.02 128.79 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.33 109.4 21.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -138.19 138.82 38.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 53.84 42.57 31.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.3 m120 51.24 37.89 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -141.33 129.92 22.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -79.71 125.19 38.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -138.2 156.56 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.97 165.77 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -57.44 -35.98 70.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -57.98 -47.7 82.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 38' ' ' LYS . 88.9 m -70.91 -57.44 4.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.4 p -37.81 -48.55 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 75.2 p -79.87 104.87 10.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -88.5 85.44 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -132.49 40.52 3.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.16 81.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.6 m -42.1 140.9 1.47 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.813 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 168.34 21.82 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.267 . . . . 0.0 112.318 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -130.69 160.7 33.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.2 t -99.94 163.76 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.6 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 5.6 tmtt? -118.82 -21.42 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.88 -35.58 49.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.0 p -127.71 -13.79 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.368 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 64.67 54.87 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -129.49 151.32 50.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.19 122.75 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.528 HD13 HG22 ' A' ' 89' ' ' VAL . 58.0 mt -89.87 141.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG12 ' H ' ' A' ' 79' ' ' GLY . 26.3 t -104.53 146.46 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.41 83.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.569 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -84.22 35.92 2.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 6.4 m-20 -144.18 130.1 19.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 81' ' ' GLN . 2.4 mp0 -51.16 127.52 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 80' ' ' ASP . 6.3 m-20 -141.07 161.79 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.086 HG11 ' CD2' ' A' ' 95' ' ' PHE . 20.7 t -121.77 107.94 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 18.4 tt0 -93.07 123.97 36.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -145.0 127.92 16.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt 50.99 40.39 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.73 -48.72 3.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 47.3 p -77.85 129.98 36.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.528 HG22 HD13 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -111.88 124.34 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.8 m95 -104.51 141.78 35.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 94' ' ' CYS . 30.2 m80 -53.24 134.53 39.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 91' ' ' HIS . 30.2 tptt -33.89 -33.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' HIS . 3.6 p30 -83.3 -45.28 13.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 91' ' ' HIS . 85.2 m -61.13 -34.39 74.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.086 ' CD2' HG11 ' A' ' 83' ' ' VAL . 14.2 t80 -78.99 122.26 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.3 p -76.84 -62.35 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.92 145.24 7.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 108.0 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.1 t -99.24 95.83 7.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.8 m -124.08 112.68 17.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.514 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 p -90.8 88.43 7.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -97.62 97.31 8.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.47 116.93 0.62 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 t -101.1 -42.72 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -109.69 92.32 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.27 -171.6 32.28 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.432 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 15.2 t -108.31 144.45 35.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.605 ' CG2' ' NE1' ' A' ' 29' ' ' TRP . 20.5 m -95.12 -2.72 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -55.61 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 p -107.06 12.74 28.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 1.6 mpt_? 45.26 35.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -113.12 155.5 44.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.686 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.15 44.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 21' ' ' GLU . 66.2 mt -104.38 126.56 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.22 175.42 52.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.09 -43.66 19.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -33.54 75.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.5 p -68.16 140.3 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 103.61 10.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.551 ' HB3' HG21 ' A' ' 15' ' ' ILE . 4.8 pt-20 -98.47 161.69 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.8 t -123.75 106.43 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 6.4 t-160 -91.06 121.37 32.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -152.81 130.49 11.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.39 46.29 23.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 59.47 36.34 23.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.588 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 14.3 mmm-85 -131.91 -177.86 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.458 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 13.5 m-85 -159.09 126.25 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.605 ' NE1' ' CG2' ' A' ' 9' ' ' VAL . 32.8 m-90 -125.48 144.49 50.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.8 m80 -68.2 161.47 27.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -62.56 -16.34 55.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.7 p -114.96 10.45 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.169 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 55.8 m -114.0 -35.55 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -72.02 104.82 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 2.5 ptp180 -155.73 175.74 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.8 t -69.02 164.49 22.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.71 -9.64 16.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -105.41 -48.3 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.1 p -102.74 -11.13 18.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.548 ' N ' HD22 ' A' ' 40' ' ' LEU . 2.6 mm? 59.25 53.29 5.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.513 ' O ' HD22 ' A' ' 43' ' ' LEU . 21.6 t60 -118.56 137.23 24.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 126.17 13.0 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.387 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.513 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.9 mm? -104.01 27.95 7.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -59.03 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -85.27 -18.69 33.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 43' ' ' LEU . 16.8 mm-40 -102.79 174.22 5.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 m -81.94 148.85 28.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' HB3' ' CB ' ' A' ' 43' ' ' LEU . 50.6 p90 -126.09 162.48 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.545 HG12 ' HD3' ' A' ' 51' ' ' LYS . 94.2 t -132.0 138.22 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 51' ' ' LYS . . . -123.08 109.81 14.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HD3' HG12 ' A' ' 49' ' ' VAL . 1.1 mptm? -139.37 123.81 18.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 72.47 41.64 0.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 53.62 34.03 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -137.31 129.51 29.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.94 132.61 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -146.81 170.03 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.607 ' O ' HG23 ' A' ' 61' ' ' THR . 7.7 p -110.65 167.62 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.11 -45.62 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -32.53 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 33.2 m -86.39 -57.28 3.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 57' ' ' CYS . 71.0 p -39.62 -38.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' THR . 89.0 m -37.35 136.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.33 128.12 34.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -121.44 135.94 55.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -70.45 70.84 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 m -150.95 160.41 32.18 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.66 9.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.34 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -139.45 158.49 44.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.0 t -94.94 166.04 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 19.8 tptt -114.29 -25.67 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.28 29.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.61 -13.42 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 61.77 46.72 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -116.53 157.74 24.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.57 119.14 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 83.6 mt -84.74 150.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.1 t -122.13 146.26 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.17 -62.68 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.98 -42.05 60.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.76 109.44 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -43.92 139.59 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.483 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 1.0 OUTLIER -144.25 173.99 11.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 22.1 t -135.4 107.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.5 tt0 -95.04 130.92 41.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.441 ' CD1' ' HG2' ' A' ' 86' ' ' LYS . 4.0 t80 -119.76 74.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.441 ' HG2' ' CD1' ' A' ' 85' ' ' TYR . 7.9 mmtm 51.23 54.99 10.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 129.7 -82.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -77.99 129.57 35.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -116.97 129.42 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 3.6 m95 -110.1 148.8 31.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -56.8 143.39 37.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -46.31 -30.9 2.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -83.01 -44.97 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 99.4 m -60.3 -38.84 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.31 92.76 8.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 t -127.59 43.15 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 99.47 -155.94 19.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 162.22 42.92 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.378 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.2 t -92.54 42.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.0 p 40.69 41.96 1.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.44 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -142.79 168.46 19.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -110.19 -52.7 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.31 -163.7 25.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -128.19 -47.02 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.366 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 m -40.06 128.66 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.66 170.91 16.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.1 t -96.1 144.54 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.679 HG11 ' HD3' ' A' ' 27' ' ' ARG . 12.7 m -95.11 0.05 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -105.11 -55.56 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -96.46 2.02 52.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 47.67 31.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -112.43 157.57 39.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.24 44.63 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -106.12 144.32 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.66 172.01 30.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.12 -48.66 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.332 . . . . 0.0 111.081 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.72 -32.39 73.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 p -66.58 124.81 23.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -61.28 101.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -103.64 155.62 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.699 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.9 t -117.8 103.72 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -88.88 113.42 24.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 9.5 t80 -151.95 128.65 10.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 10.8 mmmm 61.99 47.11 6.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 57.29 25.69 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.679 ' HD3' HG11 ' A' ' 9' ' ' VAL . 38.4 mtt180 -124.02 179.76 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 27' ' ' ARG . 14.6 m-85 -155.69 128.08 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.0 m-90 -123.86 142.18 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -66.46 158.32 29.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -58.23 -12.13 3.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 p -113.37 -14.58 12.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.2 m -91.81 -36.52 13.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CD2' HG21 ' A' ' 22' ' ' VAL . 31.3 t80 -69.64 99.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -155.04 -179.22 7.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.12 168.88 13.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.95 -14.08 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -103.67 -40.15 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.7 p -110.53 -11.72 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mp 60.2 40.44 18.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.44 ' O ' HD22 ' A' ' 43' ' ' LEU . 77.5 t60 -100.78 136.79 19.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.823 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.9 Cg_endo -69.78 125.0 11.63 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.44 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.5 mm? -101.15 13.64 34.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.24 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -97.46 -12.74 22.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mp0 -102.83 -178.14 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.6 p -88.44 154.81 20.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -136.55 160.36 39.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.2 t -135.67 126.92 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.48 109.19 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -139.64 149.14 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 42.61 43.06 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 52.6 40.06 29.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -145.27 127.06 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 mm -80.33 132.69 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.0 mt -142.87 162.48 35.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.5 p -104.81 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -70.41 -41.6 72.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -56.42 -30.65 63.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.6 m -91.89 -63.63 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.5 p -42.52 -33.51 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.439 HG23 ' HG3' ' A' ' 64' ' ' GLU . 2.6 t -38.48 143.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.52 131.56 41.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 62' ' ' THR . 49.6 mt-10 -144.79 138.73 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -88.9 23.56 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 t -171.12 133.86 0.92 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.65 0.738 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 167.42 24.56 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.18 155.35 38.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.5 t -98.47 165.61 11.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 90' ' ' TRP . 18.4 tptp -115.12 -22.54 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.93 -38.41 56.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.1 p -122.7 -18.41 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.4 t80 72.12 50.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -130.07 156.92 43.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.36 126.88 28.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.412 HG12 ' NE2' ' A' ' 91' ' ' HIS . 52.1 mt -95.39 138.46 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.6 t -102.78 149.78 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.44 -60.23 4.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.03 -37.09 7.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.56 163.63 26.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.705 0.288 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.489 ' HG3' ' CB ' ' A' ' 92' ' ' LYS . 5.3 pm0 -86.12 139.6 30.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.42 164.01 34.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 34.7 t -129.98 106.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 2.2 mt-10 -87.13 133.14 33.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -148.09 108.26 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.2 mttm 61.41 39.64 14.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.24 -50.78 1.88 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 p -79.04 128.71 33.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -111.08 150.06 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.572 ' CZ2' ' HB3' ' A' ' 70' ' ' LYS . 8.9 m95 -131.6 140.18 49.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 94' ' ' CYS . 27.3 m80 -49.99 132.53 23.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.489 ' CB ' ' HG3' ' A' ' 81' ' ' GLN . 45.0 tptt -34.33 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 91' ' ' HIS . 1.4 m-20 -84.1 -44.63 13.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 91' ' ' HIS . 36.2 m -58.01 -44.13 87.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -66.38 125.67 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.2 m -124.78 -49.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 55.11 95.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 133.2 24.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.9 m -133.72 173.11 11.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.9 t -130.07 -55.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.479 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -68.49 106.9 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -118.32 111.12 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.02 -131.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 67.15 47.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.373 . . . . 0.0 110.895 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -105.9 79.62 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.01 -171.34 29.93 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 12' ' ' ARG . 14.7 t -101.13 150.78 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.669 HG11 ' HE ' ' A' ' 27' ' ' ARG . 21.6 m -99.57 -10.76 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -86.66 -57.85 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 14.3 p -102.36 9.87 39.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 20.5 mmt85 45.31 35.18 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 21.3 mmtm -111.35 156.59 40.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 141.67 46.17 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.584 HG21 ' CB ' ' A' ' 21' ' ' GLU . 72.4 mt -106.02 133.04 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.2 151.63 23.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.43 -50.01 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.731 0.3 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.82 -36.97 70.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.4 m -72.43 128.22 34.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -59.21 105.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.584 ' CB ' HG21 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -105.0 156.41 18.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.8 t -114.77 155.23 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.426 ' N ' HG12 ' A' ' 22' ' ' VAL . 7.2 t-160 -140.12 114.18 8.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.46 141.72 20.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm 49.79 47.24 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 55.54 31.23 16.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.669 ' HE ' HG11 ' A' ' 9' ' ' VAL . 13.3 mtp85 -128.12 179.77 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 42.8 m-85 -154.88 131.37 10.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.7 m-90 -126.02 150.58 47.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.467 ' CD2' HG12 ' A' ' 15' ' ' ILE . 15.7 m80 -72.22 160.53 32.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -60.39 -15.56 27.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.2 p -109.42 -17.09 13.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.2 m -88.14 -44.7 10.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CD2' HG21 ' A' ' 22' ' ' VAL . 22.6 t80 -60.42 102.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.436 ' HD3' ' C ' ' A' ' 40' ' ' LEU . 10.0 ptp85 -158.48 -179.98 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 t -71.57 170.33 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.64 -18.25 13.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -98.77 -46.4 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -100.41 -15.82 17.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 3.7 mm? 61.13 52.39 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.742 ' O ' HD22 ' A' ' 43' ' ' LEU . 7.6 t60 -117.41 142.04 29.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.594 0.711 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.502 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 53.0 Cg_endo -69.86 118.75 5.86 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.742 HD22 ' O ' ' A' ' 41' ' ' HIS . 2.9 mm? -98.28 23.36 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.99 -58.32 8.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -90.38 -11.65 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -102.65 169.22 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.3 m -93.14 146.37 23.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -131.16 -179.54 5.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 51' ' ' LYS . 46.6 t -142.36 125.39 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.04 108.67 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.077 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' HE3' ' CG1' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -141.09 132.48 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 62.3 39.13 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 53.07 36.3 21.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -141.22 134.13 29.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.0 mm -82.87 129.67 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.9 mt -140.65 152.28 45.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.3 p -96.58 153.17 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -39.56 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -57.83 -36.26 72.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 62' ' ' THR . 69.7 m -87.42 -55.65 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.447 HG21 ' HB ' ' A' ' 49' ' ' VAL . 62.6 p -38.32 -27.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 60' ' ' CYS . 31.1 m -72.31 85.27 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -106.47 168.57 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.85 158.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -86.8 41.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.3 p -64.26 132.29 95.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.71 0.767 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 176.34 6.88 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.46 153.44 48.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 11.1 t -101.56 169.11 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 90' ' ' TRP . 2.8 tmtt? -114.94 -33.84 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.01 -35.28 90.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.6 p -122.03 -18.26 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 69' ' ' CYS . 22.3 m-85 63.04 49.67 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -125.82 162.35 25.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.18 101.1 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.455 ' CG2' ' OD1' ' A' ' 82' ' ' ASN . 57.9 mt -64.93 143.86 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 78' ' ' ALA . 88.4 t -108.87 153.45 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' HG12 ' A' ' 77' ' ' VAL . . . -58.37 -60.87 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.94 -41.54 68.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.01 139.17 58.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -61.6 144.99 53.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.455 ' OD1' ' CG2' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -153.08 154.28 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.587 HG11 ' CD2' ' A' ' 95' ' ' PHE . 21.8 t -124.95 107.73 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 6.8 tt0 -96.87 127.48 42.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 86' ' ' LYS . 4.0 t80 -114.67 -78.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.55 ' HG3' ' CD1' ' A' ' 85' ' ' TYR . 3.5 mtpm? -131.08 84.97 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.59 -35.91 2.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.528 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.2 p -107.56 129.15 55.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -112.47 122.47 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 70' ' ' LYS . 3.1 m95 -103.53 140.7 37.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 92' ' ' LYS . 26.2 m80 -56.16 140.98 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 91' ' ' HIS . 1.9 tppp? -33.63 -38.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 91' ' ' HIS . 6.9 t0 -78.11 -48.8 15.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 91' ' ' HIS . 72.6 m -57.8 -43.97 86.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.587 ' CD2' HG11 ' A' ' 83' ' ' VAL . 15.3 t80 -69.28 160.79 30.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 t -83.76 -60.1 2.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 174.06 -79.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 124.14 10.8 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 100' ' ' SER . 78.5 p -114.92 -50.43 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 99' ' ' SER . 13.7 t -35.2 137.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.48 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.7 p -67.63 -44.28 78.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 m -49.48 134.88 18.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.59 174.4 30.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -83.27 45.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m -99.17 -63.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.56 146.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.3 t -87.21 144.75 26.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.753 HG11 ' HD2' ' A' ' 27' ' ' ARG . 5.0 m -95.01 -18.31 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -84.3 -56.35 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.2 p -92.61 2.9 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 46.46 25.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -105.46 154.04 39.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.544 0.688 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 142.18 47.41 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.435 HG12 ' NE2' ' A' ' 30' ' ' HIS . 28.3 mt -109.22 145.97 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.59 -173.06 38.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.62 -41.38 10.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 0.0 111.078 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.91 -32.16 73.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 p -72.18 141.01 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -78.32 101.64 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -98.6 156.66 16.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.57 103.68 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -89.83 117.96 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 11.9 t80 -151.93 147.03 26.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HG2' ' CD2' ' A' ' 24' ' ' TYR . 8.0 mmpt? 40.11 46.79 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 58.39 37.61 25.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.753 ' HD2' HG11 ' A' ' 9' ' ' VAL . 22.3 mmt180 -132.0 -178.69 5.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 15.5 m-85 -159.27 122.38 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.9 m-90 -124.28 141.83 51.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.435 ' NE2' HG12 ' A' ' 15' ' ' ILE . 13.9 m80 -64.74 163.35 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -15.62 33.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.1 t -110.4 -14.18 14.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.0 m -87.82 -46.89 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -59.92 109.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -166.82 172.67 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.8 t -66.94 164.73 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.19 -10.37 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -103.86 -44.5 5.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.8 p -104.64 -18.25 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.7 mt 66.32 49.98 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.577 ' O ' HD22 ' A' ' 43' ' ' LEU . 79.6 t60 -112.9 136.12 21.66 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.429 ' HD2' ' ND1' ' A' ' 41' ' ' HIS . 53.3 Cg_endo -69.76 118.91 5.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.6 mm? -98.35 32.49 2.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -49.99 74.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -108.85 -2.77 18.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -101.63 168.83 9.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -91.44 149.11 21.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -137.15 178.8 6.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.63 135.4 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.47 110.15 22.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -141.07 149.49 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.81 46.2 3.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 47.11 42.71 13.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -145.34 139.05 26.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.4 mm -87.59 127.93 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.6 mt -142.6 153.86 43.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.407 ' O ' HG23 ' A' ' 61' ' ' THR . 13.6 p -96.99 171.03 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -59.69 -50.73 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -46.99 -43.12 19.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' THR . 36.0 m -75.63 -64.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 57' ' ' CYS . 75.9 p -40.19 -26.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' CYS . 88.0 m -49.58 138.44 13.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 63' ' ' ARG . 3.7 ptp180 -55.9 140.2 43.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 66' ' ' SER . 2.1 pp20? -158.85 179.32 9.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' CG ' ' OE1' ' A' ' 64' ' ' GLU . 1.5 p30 -60.07 76.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 64' ' ' GLU . 58.7 p -121.02 153.95 57.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 110.814 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 171.44 14.52 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -131.65 163.73 27.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.0 t -108.46 164.93 11.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 4.9 tptp -111.12 -24.66 10.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.42 ' N ' ' CE3' ' A' ' 90' ' ' TRP . . . -75.12 -41.72 31.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.85 -16.41 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' A' ' 70' ' ' LYS . 33.1 m-85 65.36 51.19 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -131.49 152.99 50.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.39 109.74 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 91.1 mt -70.65 132.63 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 80' ' ' ASP . 48.1 t -82.37 144.36 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.81 -56.69 18.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -80.6 43.84 2.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.409 ' CG ' ' HB ' ' A' ' 77' ' ' VAL . 1.2 m-20 -133.33 163.44 29.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -76.3 124.88 28.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.474 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -143.48 160.13 41.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.443 ' C ' HG23 ' A' ' 89' ' ' VAL . 21.7 t -127.8 108.05 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 4.6 tt0 -99.31 127.5 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' A' ' 86' ' ' LYS . 3.5 t80 -114.55 -77.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.537 ' HG3' ' CE1' ' A' ' 85' ' ' TYR . 51.3 mttm -132.24 87.79 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.13 -39.91 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 p -105.32 126.39 52.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.089 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -111.26 123.08 66.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 2.3 m95 -104.19 141.04 36.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -49.16 160.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -66.44 -6.64 15.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.71 -27.85 9.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.3 m -77.71 -39.28 45.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -73.96 88.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 m -127.57 96.3 4.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -38.64 105.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 159.54 53.0 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -147.05 179.16 7.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 t -123.31 156.08 36.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.192 -0.782 . . . . 0.0 112.485 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -70.96 97.43 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.836 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 t -101.05 83.96 2.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.62 174.87 16.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -73.12 -53.74 10.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.814 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.538 ' HB2' ' CG ' ' A' ' 28' ' ' PHE . 8.7 p -122.35 -48.53 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.11 165.51 0.61 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 t -104.03 146.61 28.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.8 HG11 ' NE ' ' A' ' 27' ' ' ARG . 12.1 m -95.52 -7.5 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -91.42 -56.0 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ARG . 13.7 p -103.22 15.84 28.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER 36.85 39.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -116.52 158.1 44.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.42 47.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' A' ' 21' ' ' GLU . 88.4 mt -105.91 139.8 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.61 165.4 23.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.92 54.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.45 -33.57 75.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.7 m -67.14 123.04 19.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -61.11 104.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HB3' HG21 ' A' ' 15' ' ' ILE . 3.7 pt-20 -109.09 161.62 15.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.1 t -124.46 104.86 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CD2' ' CE2' ' A' ' 28' ' ' PHE . 6.2 t-160 -89.12 110.86 21.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -151.73 146.1 25.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 6.5 mtmp? 49.18 53.77 12.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.463 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER 48.76 26.89 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.8 ' NE ' HG11 ' A' ' 9' ' ' VAL . 5.7 mmm180 -130.59 177.15 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.538 ' CG ' ' HB2' ' A' ' 6' ' ' SER . 13.2 m-85 -150.57 131.11 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.9 m-90 -125.14 145.47 49.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -66.89 169.61 7.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -4.85 20.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 t -123.62 -10.44 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 65.1 m -94.12 -29.14 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -79.49 107.65 12.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.498 ' HD3' ' CD1' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -156.78 -177.0 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.425 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 40.1 t -79.9 129.5 34.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.86 13.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HD3' HD22 ' A' ' 56' ' ' LEU . 16.0 mtpp -121.09 -44.27 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.31 -2.29 13.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.498 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 3.6 mm? 56.75 53.49 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.5 ' O ' HD22 ' A' ' 43' ' ' LEU . 55.9 t60 -121.13 135.23 24.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.873 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 122.63 9.3 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 41' ' ' HIS . 1.7 mm? -97.85 19.8 13.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.55 -39.23 64.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -115.75 -3.39 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.445 ' CG ' HD12 ' A' ' 43' ' ' LEU . 5.7 tp10 -115.51 149.44 38.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.1 p -46.03 156.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -148.58 147.71 29.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG12 ' HD3' ' A' ' 51' ' ' LYS . 39.8 t -130.93 150.04 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.53 120.15 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HD3' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -136.44 138.06 41.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 49.03 37.86 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m120 63.32 34.68 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -134.87 133.61 39.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.3 mm -82.21 134.95 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.572 HD22 ' HD3' ' A' ' 38' ' ' LYS . 97.6 mt -147.84 173.09 13.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.993 ' O ' HG23 ' A' ' 61' ' ' THR . 1.9 p -110.17 167.35 10.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -64.71 -45.02 88.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -24.29 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.426 ' HB3' ' CE ' ' A' ' 38' ' ' LYS . 18.9 m -95.45 -48.69 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.993 HG23 ' O ' ' A' ' 57' ' ' CYS . 34.7 p -45.77 -44.59 14.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.504 HG23 ' N ' ' A' ' 63' ' ' ARG . 8.6 t -61.0 -46.54 90.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.504 ' N ' HG23 ' A' ' 62' ' ' THR . 6.9 tmm_? -110.79 90.53 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -93.83 -48.05 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.6 t0 49.86 34.57 7.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.37 145.31 30.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.885 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 173.4 11.03 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.703 2.269 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -120.97 154.24 36.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 32.7 t -97.08 165.69 11.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 1.5 tmtm? -114.22 -22.54 9.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.58 -39.97 48.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.2 p -124.49 -13.91 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 63.69 54.73 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -131.24 152.19 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.13 116.33 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.489 HD13 HG22 ' A' ' 89' ' ' VAL . 30.2 mt -81.93 138.58 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.8 t -99.52 143.27 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' GLY . . . -52.0 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' ALA . . . -37.57 -38.62 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.02 143.61 57.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.301 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.419 ' CD ' ' HG2' ' A' ' 92' ' ' LYS . 6.7 pt20 -77.86 131.01 37.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -139.78 166.36 24.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 24.8 t -123.29 108.54 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 20.3 tt0 -90.23 122.73 33.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -146.41 126.86 14.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt 52.69 42.22 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.24 -46.63 3.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.8 p -80.16 128.24 33.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -109.41 123.73 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.58 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 11.7 m95 -104.8 134.4 47.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 93' ' ' ASP . 25.3 m80 -46.42 134.52 9.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HG2' ' CD ' ' A' ' 81' ' ' GLN . 46.2 tptt -42.92 -22.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 91' ' ' HIS . 14.1 t70 -92.86 -39.05 11.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 m -62.69 -39.07 92.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -83.45 82.82 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.9 p -89.21 -49.43 6.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 143.64 120.52 1.48 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' SER . 53.4 Cg_endo -69.75 -3.05 11.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 100' ' ' SER . 36.6 m -37.51 135.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 99' ' ' SER . 3.3 m -36.46 150.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.481 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 p -63.76 162.4 13.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m 53.28 47.1 25.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.33 -70.8 0.82 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -53.76 125.44 18.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 m -99.17 158.65 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.85 178.07 16.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.6 t -99.51 144.67 28.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.896 HG11 ' HD2' ' A' ' 27' ' ' ARG . 12.3 m -93.62 -9.8 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.73 -54.32 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 13' ' ' LYS . 21.1 p -101.41 17.49 22.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 31.71 36.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 11' ' ' CYS . 19.4 mttt -114.65 159.22 37.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.709 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.75 46.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.417 HG12 ' NE2' ' A' ' 30' ' ' HIS . 67.2 mt -106.59 144.45 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.79 160.36 20.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.68 -40.59 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 0.3 OUTLIER -69.73 -29.96 67.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.1 p -70.8 133.16 46.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -64.19 104.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -105.37 148.76 26.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -117.19 106.06 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.35 114.7 27.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -150.81 121.99 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER 65.19 45.67 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.3 m120 59.39 28.06 17.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.896 ' HD2' HG11 ' A' ' 9' ' ' VAL . 38.6 mmt180 -122.34 -179.11 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' CG ' ' O ' ' A' ' 27' ' ' ARG . 20.2 m-85 -159.88 124.43 3.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 30.3 m-90 -125.03 144.73 50.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.417 ' NE2' HG12 ' A' ' 15' ' ' ILE . 22.2 m80 -69.02 156.3 38.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -13.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 p -110.32 -18.91 13.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.6 m -86.51 -45.42 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -59.05 100.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -158.21 173.79 16.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 t -67.29 166.5 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.62 -7.39 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -106.07 -48.1 3.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.9 p -103.35 -12.46 17.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.3 mt 61.12 54.11 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -117.17 135.12 23.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 110.818 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 123.0 9.66 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.285 . . . . 0.0 112.311 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.06 31.42 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.2 -42.63 86.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.65 -2.21 13.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -104.41 174.03 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.9 m -86.99 150.77 23.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -141.09 174.78 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.0 t -146.5 136.15 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.86 20.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -141.05 150.04 42.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 t70 49.23 37.03 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.9 t30 52.88 36.08 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -141.43 132.84 26.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mm -76.78 126.31 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.0 mt -138.46 155.54 48.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 61' ' ' THR . 18.9 p -99.05 174.23 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -64.98 -42.47 94.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -53.76 -42.87 68.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.6 m -76.43 -59.27 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 57' ' ' CYS . 68.6 p -47.69 -39.06 16.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 94.7 m -85.41 -65.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -91.32 144.11 25.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 62.44 44.17 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -107.12 89.7 3.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.9 m -100.35 137.22 19.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 178.2 4.8 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.677 2.251 . . . . 0.0 112.375 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -137.88 159.61 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 27.1 t -101.23 164.83 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 1.8 tmtt? -116.26 -27.7 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.35 95.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.2 p -124.61 -21.59 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.5 t80 73.59 52.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -128.09 151.73 48.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.61 123.02 13.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.1 mt -86.51 136.96 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.27 145.5 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.27 -58.57 7.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.64 -41.49 42.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.84 113.92 6.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.735 0.302 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -51.5 131.48 29.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.497 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . 0.4 OUTLIER -130.61 169.0 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 17.7 t -125.76 108.42 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 9.1 tt0 -94.92 124.05 38.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.585 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 86.8 t80 -143.87 106.8 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.585 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 2.8 mtpm? 65.79 54.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.31 -49.48 3.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -78.96 125.82 29.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 111.085 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -113.76 120.94 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 7.7 m95 -101.22 143.85 30.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -52.14 143.32 14.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -44.56 -28.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -88.32 -47.99 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 44.2 m -55.58 -42.57 74.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -70.22 110.21 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.8 t -102.1 84.54 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -124.93 -90.92 0.86 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.509 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.88 15.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.64 2.226 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.6 p -83.04 49.12 1.47 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 m -100.65 -45.05 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.491 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 m -52.26 155.43 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -81.26 104.76 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.01 82.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -78.9 -55.23 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.832 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -43.93 143.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.21 -174.76 33.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.1 t -97.87 144.07 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -96.05 -14.72 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.65 -56.52 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.5 p -91.02 -8.14 49.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 58.66 27.87 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -110.37 156.52 40.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.98 52.56 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.444 HG12 ' NE2' ' A' ' 30' ' ' HIS . 70.3 mt -111.09 146.41 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.03 157.05 19.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.472 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.9 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -56.68 -30.58 63.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -81.78 129.97 34.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -65.33 104.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.34 171.22 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.501 HG21 ' CD2' ' A' ' 34' ' ' PHE . 21.9 t -121.43 103.93 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -90.49 113.99 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -152.06 132.91 14.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.71 44.92 13.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 57.45 28.78 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 17.9 mtm180 -128.94 -179.2 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -155.59 131.72 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 27' ' ' ARG . 32.0 m-90 -125.31 149.28 48.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' NE2' HG12 ' A' ' 15' ' ' ILE . 14.5 m80 -71.6 156.83 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -11.25 2.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.6 p -112.91 -16.65 12.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 67.0 m -89.65 -46.87 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' CD2' HG21 ' A' ' 22' ' ' VAL . 27.4 t80 -55.89 103.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.496 ' NE ' HD12 ' A' ' 40' ' ' LEU . 17.4 ptt180 -160.13 168.11 26.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 t -61.79 168.96 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.25 -10.18 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.061 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -104.57 -46.37 4.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.35 -8.36 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.496 HD12 ' NE ' ' A' ' 35' ' ' ARG . 4.3 mm? 58.25 43.87 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.536 ' CD2' ' HD2' ' A' ' 42' ' ' PRO . 3.5 t60 -105.8 130.44 23.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.857 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.536 ' HD2' ' CD2' ' A' ' 41' ' ' HIS . 53.7 Cg_endo -69.71 122.66 9.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.479 HD12 ' HG2' ' A' ' 46' ' ' GLU . 1.3 mm? -95.01 15.75 18.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.4 -37.49 62.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -115.83 -6.1 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HG2' HD12 ' A' ' 43' ' ' LEU . 4.2 tt0 -116.21 152.45 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 23.9 p -57.73 148.62 24.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 8.6 p90 -131.27 158.8 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 50' ' ' ALA . 96.9 t -131.78 152.01 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' N ' HG12 ' A' ' 49' ' ' VAL . . . -118.02 108.62 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -141.21 144.51 34.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 55.65 43.86 27.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 47.96 35.67 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -146.95 147.28 30.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.4 128.27 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.9 mt -141.21 151.96 44.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.0 p -98.69 155.75 17.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 1.1 p30 -45.76 -55.35 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -41.67 -36.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' THR . 68.5 m -84.43 -70.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' CYS . 17.4 p -37.67 -42.9 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 58' ' ' ASN . 19.6 p -49.34 -179.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -47.8 172.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 66.6 45.0 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' SER . 26.4 t0 -126.56 88.7 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' ASP . 6.3 t -34.81 138.77 0.34 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.666 0.746 . . . . 0.0 110.824 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.74 4.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -131.1 151.37 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.2 t -97.9 165.76 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HB3' ' CH2' ' A' ' 90' ' ' TRP . 3.3 tmtt? -115.3 -22.67 9.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.08 -37.06 56.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.1 p -125.66 -12.71 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 62.98 53.76 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -135.42 151.29 50.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.64 126.72 28.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 91' ' ' HIS . 45.9 mt -89.27 137.74 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.17 144.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.54 -59.88 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.62 50.0 3.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 81' ' ' GLN . 6.7 m-20 -141.38 112.06 7.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 80' ' ' ASP . 3.2 mp0 -36.28 120.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 80' ' ' ASP . 0.4 OUTLIER -136.74 159.82 40.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 19.5 t -121.63 107.87 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 89' ' ' VAL . 3.3 tt0 -95.34 122.22 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.552 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 87.7 t80 -142.1 130.02 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.552 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 15.2 mtpp 48.89 41.85 19.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.94 -49.29 3.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.8 p -77.83 127.44 32.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -111.37 124.65 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.591 ' CH2' ' HB3' ' A' ' 70' ' ' LYS . 6.3 m95 -105.01 141.68 36.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 93' ' ' ASP . 23.9 m80 -50.94 135.73 24.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 91' ' ' HIS . 8.3 tptp -36.03 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 91' ' ' HIS . 13.5 m-20 -87.33 -44.86 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 91' ' ' HIS . 18.7 m -56.58 -45.2 81.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -58.47 150.84 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' GLY . 3.8 m -132.88 107.66 8.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 96' ' ' SER . . . -35.27 -66.06 0.38 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.481 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 115.0 3.9 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.613 2.209 . . . . 0.0 112.382 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 m -115.84 163.47 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.1 m -155.62 169.13 25.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.472 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_